4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide
TL;DR: 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide (CAS 377052-84-1) is a chemical compound with molecular formula C13H9N5O4 and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzamide
Also Known As: 4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzamide, 4-({7-nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide, 4-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzamide, 4-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)benzamide
| Molecular Formula | C13H9N5O4 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 1.9735 |
| Topological Polar Surface Area | 137.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.06546 |
| Heavy Atoms | 22 |
| Complexity | 871.77277 |
Chemical Identifiers
| CAS Number | 377052-84-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
Product Overview
4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide (CAS 377052-84-1), with molecular formula C13H9N5O4 and molecular weight 299.07 g/mol. IUPAC: 4-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzamide.
Chemical Property Profile of 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide
Property Insights of 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide
The XLogP value of 1.9735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide. The TPSA of 137.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide. Following Lipinski's Rule of Five, 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide has 2 hydrogen bond donor(s) and 7 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-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide?
The CAS number of 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide is 377052-84-1.
What is the molecular formula of 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide?
The molecular formula of 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide is C13H9N5O4.
What is the molecular weight of 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide?
The molecular weight of 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide is 299.07 g/mol.
Where can I buy 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide?
You can request a quote for 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-({7-Nitro-2,1,3-benzoxadiazol-4-yl}amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.