9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
TL;DR: 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide (CAS 898422-35-0) is a chemical compound with molecular formula C20H16N6O4 and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-7H-purine-6-carboxamide
Also Known As: 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide, AB00679714-01, 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-7H-purine-6-carboxamide, F2565-0182
| Molecular Formula | C20H16N6O4 |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 2.39974 |
| Topological Polar Surface Area | 149.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1233 |
| Heavy Atoms | 30 |
| Complexity | 1402.4368 |
Chemical Identifiers
| CAS Number | 898422-35-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC=CC=C4[N+](=O)[O-])C |
Product Overview
9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide (CAS 898422-35-0), with molecular formula C20H16N6O4 and molecular weight 404.12 g/mol. IUPAC: 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-7H-purine-6-carboxamide.
Chemical Property Profile of 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
Property Insights of 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
The XLogP value of 2.39974 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide. The TPSA of 149.8 Ų indicates high polarity, suggesting 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-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-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The CAS number of 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is 898422-35-0.
What is the molecular formula of 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The molecular formula of 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is C20H16N6O4.
What is the molecular weight of 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
The molecular weight of 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide is 404.12 g/mol.
Where can I buy 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
You can request a quote for 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-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-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 9-(3,4-dimethylphenyl)-2-(2-nitrophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.