2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid
TL;DR: 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid (CAS 58483-74-2) is a chemical compound with molecular formula C14H9N3O4S and molecular weight 315.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-nitro-1,3-benzothiazol-2-yl)amino]benzoic acid
Also Known As: 2-({6-nitro-1,3-benzothiazol-2-yl}amino)benzoic acid, AR-009/42290060, 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]benzoic acid
| Molecular Formula | C14H9N3O4S |
|---|---|
| Molecular Weight | 315.03 g/mol |
| LogP | 3.6463 |
| Topological Polar Surface Area | 105.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.03137 |
| Heavy Atoms | 22 |
| Complexity | 890.68024 |
Chemical Identifiers
| CAS Number | 58483-74-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid (CAS 58483-74-2), with molecular formula C14H9N3O4S and molecular weight 315.03 g/mol. IUPAC: 2-[(6-nitro-1,3-benzothiazol-2-yl)amino]benzoic acid.
Chemical Property Profile of 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid
Property Insights of 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid
The XLogP value of 3.6463 indicates that 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid. Following Lipinski's Rule of Five, 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid has 2 hydrogen bond donor(s) and 6 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-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid?
The CAS number of 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid is 58483-74-2.
What is the molecular formula of 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid?
The molecular formula of 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid is C14H9N3O4S.
What is the molecular weight of 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid?
The molecular weight of 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid is 315.03 g/mol.
Where can I buy 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid?
You can request a quote for 2-({6-Nitro-1,3-benzothiazol-2-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-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({6-Nitro-1,3-benzothiazol-2-yl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.