9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
TL;DR: 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide (CAS 852452-81-4) is a chemical compound with molecular formula C20H16ClN5O4 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
Also Known As: 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide, 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide
| Molecular Formula | C20H16ClN5O4 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 2.5453 |
| Topological Polar Surface Area | 125.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.08908 |
| Heavy Atoms | 30 |
| Complexity | 1345.0272 |
Chemical Identifiers
| CAS Number | 852452-81-4 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC(=CC=C4)Cl)C(=O)N |
Product Overview
9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide (CAS 852452-81-4), with molecular formula C20H16ClN5O4 and molecular weight 425.09 g/mol. IUPAC: 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Property Insights of 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
The XLogP value of 2.5453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide. The TPSA of 125.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide. Following Lipinski's Rule of Five, 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide has 2 hydrogen bond donor(s) and 6 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 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The CAS number of 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is 852452-81-4.
What is the molecular formula of 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The molecular formula of 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is C20H16ClN5O4.
What is the molecular weight of 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The molecular weight of 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is 425.09 g/mol.
Where can I buy 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
You can request a quote for 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-chlorophenyl)-2-(2,3-dimethoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.