Caffeine:Theophylline cocrystal

Name: Caffeine:Theophylline cocrystal
Brand: CoreyChem
SKU: CAS:10885-54-8
Price: Contact for pricing USD
Availability: InStock

1,3-dimethyl-7H-purine-2,6-dione;1,3,7-trimethylpurine-2,6-dione

Also Known As: Caffeine:Theophylline cocrystal, CAFFEINE THEOPHYLLINE COMPOUND, 1,3-dimethyl-7H-purine-2,6-dione; 1,3,7-trimethylpurine-2,6-dione

CAS: 10885-54-8

Molecular Formula	`C15H18N8O4`
Molecular Weight	374.1451 g/mol
LogP	-2.07
Topological Polar Surface Area	134.5 Å²
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	0
Exact Mass	374.1451
Heavy Atoms	27
Complexity	1408

Chemical Identifiers

CAS Number	10885-54-8
SMILES	`CN1C=NC2=C1C(=O)N(C(=O)N2C)C.CN1C2=C(C(=O)N(C1=O)C)NC=N2`

Product Overview

Caffeine:Theophylline cocrystal (CAS 10885-54-8), with molecular formula C15H18N8O4 and molecular weight 374.1451 g/mol. IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;1,3,7-trimethylpurine-2,6-dione.

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