ChemicalBook >> CAS DataBase List >>1,3,7-TRIMETHYLURIC ACID

1,3,7-TRIMETHYLURIC ACID

CAS No.
5415-44-1
Chemical Name:
1,3,7-TRIMETHYLURIC ACID
Synonyms
ba2753;Ba 2753;Caffeine Impurity 13;1,3,7-TRIMETHYLURIC ACID;Uric acid, 1,3,7-trimethyl-;1,3,7-Trimethyluric acid - [T94326];2,6,8-TRIHYDROXY-1,3,7-TRIMETHYLPURINE;1,3,7-trimethyl-9H-purine-2,6,8-trione;1,3,7-Trimethyluric acid, 10 mM in DMSO;1,3,7-triMethyl-1H-purine-2,6,8(3H,7H,9H)-trione
CBNumber:
CB8125682
Molecular Formula:
C8H10N4O3
Molecular Weight:
210.19
MDL Number:
MFCD00042773
MOL File:
5415-44-1.mol
MSDS File:
SDS
Last updated:2025-09-18 19:10:02

1,3,7-TRIMETHYLURIC ACID Properties

Melting point ≥300 °C
Boiling point 349.7°C (rough estimate)
Density 1.3649 (rough estimate)
refractive index 1.6590 (estimate)
storage temp. Refrigerator
solubility DMSO (Slightly, Heated), Methanol (Slightly, Heated)
form Solid
pka 5.85±0.70(Predicted)
color White to Pale Beige
Water Solubility 24mg/L(room temperature)
InChI InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)
InChIKey BYXCFUMGEBZDDI-UHFFFAOYSA-N
SMILES N1(C)C2=C(N(C)C(=O)N(C)C2=O)NC1=O
EWG's Food Scores 1
FDA UNII Z61UN6MHB7

SAFETY

Risk and Safety Statements

WGK Germany  2
RTECS  UP0783750

1,3,7-TRIMETHYLURIC ACID price More Price(10)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
TCI Chemical T3646 1,3,7-Trimethyluric Acid 5415-44-1 100MG $402 2025-07-31 Buy
Cayman Chemical 16949 1,3,7-Trimethyluric Acid ≥98% 5415-44-1 25mg $62 2024-03-01 Buy
Cayman Chemical 16949 1,3,7-Trimethyluric Acid ≥98% 5415-44-1 50mg $115 2024-03-01 Buy
Cayman Chemical 16949 1,3,7-Trimethyluric Acid ≥98% 5415-44-1 100mg $216 2024-03-01 Buy
Cayman Chemical 16949 1,3,7-Trimethyluric Acid ≥98% 5415-44-1 250mg $477 2024-03-01 Buy
Product number Packaging Price Buy
T3646 100MG $402 Buy
16949 25mg $62 Buy
16949 50mg $115 Buy
16949 100mg $216 Buy
16949 250mg $477 Buy

1,3,7-TRIMETHYLURIC ACID Chemical Properties,Uses,Production

Uses

1,3,7-Trimethyluric Acid is a caffeine derivative, and a methyl derivative of uric acid. Detected as a urine marker of caffeine consumption.

Definition

ChEBI: An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8, and the nitrogens at positions 1, 3, and 7 are substituted by methyl groups. It is a metabolite of caffeine.

Purification Methods

Crystallise it from water and dry it at 100o in a vacuum. It has UV: 289nm (pH 2.5). [Beilstein 26 III/IV 2623.]

54729-62-3
616-38-6
5415-44-1
Synthesis of 1,3,7-TRIMETHYLURIC ACID from 6-Amino-1,3-dimethyl-5-(methylamino)-2,4(1H,3H)-pyrimidinedione and Dimethyl carbonate

1,3,7-TRIMETHYLURIC ACID Suppliers

Global( 78)Suppliers
Supplier Tel Email Country ProdList Advantage
TargetMol Chemicals Inc.
+1-781-999-5354; +17819995354 marketing@targetmol.com United States 32431 58
Career Henan Chemica Co
+86-0371-86658258 +8613203830695 laboratory@coreychem.com China 30229 58
Hefei TNJ Chemical Industry Co.,Ltd.
+86-0551-65418671 +8618949823763 sales@tnjchem.com China 34563 58
Finetech Industry Limited
+86-27-8746-5837 +8619945049750 info@finetechnology-ind.com China 9629 58
Dayang Chem (Hangzhou) Co.,Ltd.
+86-0571-88938639 +8617705817739 info@dycnchem.com China 52846 58
Nanjing Doge Biomedical Technology Co., Ltd
+86-25-58227606 +86-15305155328 sales@dogechemical.com China 4128 58
GIHI CHEMICALS CO.,LIMITED
+8618058761490 info@gihichemicals.com China 49977 58
Hefei Molake Biotechnology Co., Ltd. 0551-66336380 18956014586 983438788@qq.com China 2288 58
J & K SCIENTIFIC LTD. 18210857532; 18210857532 jkinfo@jkchemical.com China 96815 76
ChemFuture PharmaTech (Jiangsu) Ltd 5108538618 suger.wang@chemfuture.com China 832 65

View Lastest Price from 1,3,7-TRIMETHYLURIC ACID manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
1,3,7-Trimethyluric acid pictures 2025-09-18 1,3,7-Trimethyluric acid
5415-44-1
US $46.00-67.00 / mg 99.96% 10g TargetMol Chemicals Inc.
1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione 1H-Purine-2,6,8(3H)-trione, 7,9-dihydro-1,3,7-trimethyl- 7,9-dihydro-1,3,7-trimethyl-1h-purine-2,6,8(3h)-trione 8(3h)-trione,7,9-dihydro-1,3,7-trimethyl-1h-purine-6 Ba 2753 ba2753 Uric acid, 1,3,7-trimethyl- 2,6,8-TRIHYDROXY-1,3,7-TRIMETHYLPURINE 1,3,7-TRIMETHYLURIC ACID 1,3,7-trimethyl-9H-purine-2,6,8-trione 1,3,7-triMethyl-1H-purine-2,6,8(3H,7H,9H)-trione caffeine metabolite,Inhibitor,1,3,7-Trimethyluric acid,inhibit,Endogenous Metabolite,biomarker,CYP3A activity,1,3,7Trimethyluric acid,1,3,7 Trimethyluric acid Caffeine Impurity 13 1,3,7-Trimethyluric acid, 10 mM in DMSO 1,3,7-Trimethyluric acid - [T94326] 5415-44-1 Building Blocks Purines Heterocyclic Building Blocks