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1，3，7-Trimethyluric Acid - ≥98%, high purity , CAS No.5415-44-1

COA

Grade & Purity:

≥98%

Cas Number: 5415-44-1
Molecular Weight: 210.19
Beilstein Registry Number: 20503
EC Number: 226-507-9
PubChem CID: 79437

In stock

Item Number

T769799

Grouped product items
SKU	Size	Availability	Price
T769799-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$448.90
T769799-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,310.90
T769799-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90

View related series

Metabolite (5307) Purine Alkaloids (1)

Basic Description

Synonyms	1,3,7-Trimethyl-9H-purine-2,6,8-trione \| 1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione
Specifications & Purity	≥98%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	1,3,7-Trimethyluric acid is a derivative of uric acid and a metabolite of caffeine.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Imidazopyrimidines
    - Subclass Purines and purine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Imidazopyrimidines
Subclass	Purines and purine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Xanthines
Alternative Parents	6-oxopurines Alkaloids and derivatives Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors	a small molecule
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1,3,7-trimethyl-9H-purine-2,6,8-trione
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	CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
Isomeric SMILES	CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
WGK Germany	2
RTECS	UP0783750
PubChem CID	79437
Molecular Weight	210.19
Beilstein	20503

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	air and heat sensitive
Melt Point(°C)	≥300°C
Molecular Weight	210.190 g/mol
XLogP3	-0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	210.075 Da
Monoisotopic Mass	210.075 Da
Topological Polar Surface Area	73.000 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	414.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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