6-Benzamidopurine
TL;DR: 6-Benzamidopurine (CAS 4005-49-6) is a chemical compound with molecular formula C12H9N5O and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7H-purin-6-yl)benzamide
Also Known As: N6-Benzoyladenine, N-(7H-purin-6-yl)benzamide, 6-Benzamidopurine, n-benzoyladenine, N-Benzoylaminopurine
| Molecular Formula | C12H9N5O |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 83.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.0807 |
| Heavy Atoms | 18 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 4005-49-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2NC=N3 |
| InChIKey | QQJXZVKXNSFHRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Benzamidopurine (CAS 4005-49-6), with molecular formula C12H9N5O and molecular weight 239.08 g/mol. IUPAC: N-(7H-purin-6-yl)benzamide.
Chemical Property Profile of 6-Benzamidopurine
Property Insights of 6-Benzamidopurine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzamidopurine. The TPSA of 83.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzamidopurine. Following Lipinski's Rule of Five, 6-Benzamidopurine has 2 hydrogen bond donor(s) and 4 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 6-Benzamidopurine?
The CAS number of 6-Benzamidopurine is 4005-49-6.
What is the molecular formula of 6-Benzamidopurine?
The molecular formula of 6-Benzamidopurine is C12H9N5O.
What is the molecular weight of 6-Benzamidopurine?
The molecular weight of 6-Benzamidopurine is 239.08 g/mol.
Where can I buy 6-Benzamidopurine?
You can request a quote for 6-Benzamidopurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzamidopurine?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzamidopurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.