![3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid structure](/static/products/3321/332164-02-0.webp)
3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid
TL;DR: 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid (CAS 332164-02-0) is a chemical compound with molecular formula C13H7ClN4O5 and molecular weight 334.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid
Also Known As: BAS 01237138, 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid, 3-(7-Chloro-4-nitro-benzo[1,2,5]oxadiazol-5-ylamino)-benzoic acid, 3-((7-chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)benzoic acid, 3-[(7-chloro-4-nitrobenzo[c]1,2,5-oxadiazol-5-yl)amino]benzoic acid
| Molecular Formula | C13H7ClN4O5 |
|---|---|
| Molecular Weight | 334.01 g/mol |
| LogP | 3.2262 |
| Topological Polar Surface Area | 131.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.0105 |
| Heavy Atoms | 23 |
| Complexity | 939.25964 |
Chemical Identifiers
| CAS Number | 332164-02-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=C(C3=NON=C3C(=C2)Cl)[N+](=O)[O-])C(=O)O |
Product Overview
3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid (CAS 332164-02-0), with molecular formula C13H7ClN4O5 and molecular weight 334.01 g/mol. IUPAC: 3-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid.
Chemical Property Profile of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid
Property Insights of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid
The XLogP value of 3.2262 indicates that 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-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 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid?
The CAS number of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid is 332164-02-0.
What is the molecular formula of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid?
The molecular formula of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid is C13H7ClN4O5.
What is the molecular weight of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid?
The molecular weight of 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid is 334.01 g/mol.
Where can I buy 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid?
You can request a quote for 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-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 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(7-Chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.