1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione
TL;DR: 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione (CAS 85884-03-3) is a chemical compound with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-8-(2-methylphenyl)-7H-purine-2,6-dione
Also Known As: 8-(2-Methylphenyl)-1,3-dimethylxanthine, 1,3-dimethyl-8-(2-methylphenyl)-7H-purine-2,6-dione, 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione, 1,3-Dimethyl-8-(2-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dimethyl-8-(2-methylphenyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C14H14N4O2 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.11166 |
| Heavy Atoms | 20 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 85884-03-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NC3=C(N2)C(=O)N(C(=O)N3C)C |
| InChIKey | NVWRIJAHXFWOBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione (CAS 85884-03-3), with molecular formula C14H14N4O2 and molecular weight 270.11 g/mol. IUPAC: 1,3-dimethyl-8-(2-methylphenyl)-7H-purine-2,6-dione.
Chemical Property Profile of 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione
Property Insights of 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione. Following Lipinski's Rule of Five, 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione?
The CAS number of 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione is 85884-03-3.
What is the molecular formula of 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione?
The molecular formula of 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione is C14H14N4O2.
What is the molecular weight of 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione?
The molecular weight of 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione is 270.11 g/mol.
Where can I buy 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione?
You can request a quote for 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethyl-8-o-tolyl-3,7-dihydro-purine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.