![2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid structure](/static/products/3334/333433-90-2.webp)
2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid
TL;DR: 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid (CAS 333433-90-2) is a chemical compound with molecular formula C13H8N4O5 and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid
Also Known As: BAS 01237086, 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid, 2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]benzoic acid, 2-(7-Nitro-benzo[1,2,5]oxadiazol-4-ylamino)-benzoic acid, 2-({7-nitro-2,1,3-benzoxadiazol-4-yl}amino)benzoic acid
| Molecular Formula | C13H8N4O5 |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 2.5728 |
| Topological Polar Surface Area | 131.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.04947 |
| Heavy Atoms | 22 |
| Complexity | 889.02277 |
Chemical Identifiers
| CAS Number | 333433-90-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C3=NON=C23)[N+](=O)[O-] |
Product Overview
2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid (CAS 333433-90-2), with molecular formula C13H8N4O5 and molecular weight 300.05 g/mol. IUPAC: 2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid.
Chemical Property Profile of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid
Property Insights of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid
The XLogP value of 2.5728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid. The TPSA of 131.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid 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 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid?
The CAS number of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid is 333433-90-2.
What is the molecular formula of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid?
The molecular formula of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid is C13H8N4O5.
What is the molecular weight of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid?
The molecular weight of 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid is 300.05 g/mol.
Where can I buy 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid?
You can request a quote for 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Nitro-2,1,3-benzoxadiazol-7-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.