4-(7H-purin-6-ylamino)benzamide
TL;DR: 4-(7H-purin-6-ylamino)benzamide (CAS 537666-96-9) is a chemical compound with molecular formula C12H10N6O and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7H-purin-6-ylamino)benzamide
Also Known As: 4-(7H-purin-6-ylamino)benzamide, 4-((9H-purin-6-yl)amino)benzamide, 4-(purin-6-ylamino)benzamide, 4-[(9H-purin-6-yl)amino]benzamide, 4-(9H-purin-6-ylamino)benzamide
| Molecular Formula | C12H10N6O |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 1.1954 |
| Topological Polar Surface Area | 109.58 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.09161 |
| Heavy Atoms | 19 |
| Complexity | 733.3192 |
Chemical Identifiers
| CAS Number | 537666-96-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N)NC2=NC=NC3=C2NC=N3 |
Product Overview
4-(7H-purin-6-ylamino)benzamide (CAS 537666-96-9), with molecular formula C12H10N6O and molecular weight 254.09 g/mol. IUPAC: 4-(7H-purin-6-ylamino)benzamide.
Chemical Property Profile of 4-(7H-purin-6-ylamino)benzamide
Property Insights of 4-(7H-purin-6-ylamino)benzamide
The XLogP value of 1.1954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(7H-purin-6-ylamino)benzamide. The TPSA of 109.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(7H-purin-6-ylamino)benzamide. Following Lipinski's Rule of Five, 4-(7H-purin-6-ylamino)benzamide has 3 hydrogen bond donor(s) and 5 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 4-(7H-purin-6-ylamino)benzamide?
The CAS number of 4-(7H-purin-6-ylamino)benzamide is 537666-96-9.
What is the molecular formula of 4-(7H-purin-6-ylamino)benzamide?
The molecular formula of 4-(7H-purin-6-ylamino)benzamide is C12H10N6O.
What is the molecular weight of 4-(7H-purin-6-ylamino)benzamide?
The molecular weight of 4-(7H-purin-6-ylamino)benzamide is 254.09 g/mol.
Where can I buy 4-(7H-purin-6-ylamino)benzamide?
You can request a quote for 4-(7H-purin-6-ylamino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(7H-purin-6-ylamino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(7H-purin-6-ylamino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.