![4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid structure](/static/products/7309/730965-99-8.webp)
4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid
TL;DR: 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid (CAS 730965-99-8) is a chemical compound with molecular formula C16H10ClN3O5S2 and molecular weight 422.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid, 4-chloro-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid, 4-chloro-2-({[(6-nitro-1,3-benzothiazol-2-yl)thio]acetyl}amino)benzoic acid, 4-Chloro-2-(2-((6-nitrobenzo[d]thiazol-2-yl)thio)acetamido)benzoic acid, 4-chloro-2-[[2-(6-nitrobenzothiazol-2-yl)sulfanylacetyl]amino]benzoic Acid
| Molecular Formula | C16H10ClN3O5S2 |
|---|---|
| Molecular Weight | 422.98 g/mol |
| LogP | 4.2869 |
| Topological Polar Surface Area | 122.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.97504 |
| Heavy Atoms | 27 |
| Complexity | 1069.3904 |
Chemical Identifiers
| CAS Number | 730965-99-8 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)SCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O |
Product Overview
4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid (CAS 730965-99-8), with molecular formula C16H10ClN3O5S2 and molecular weight 422.98 g/mol. IUPAC: 4-chloro-2-[[2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid
Property Insights of 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid
The XLogP value of 4.2869 indicates that 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}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 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid?
The CAS number of 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid is 730965-99-8.
What is the molecular formula of 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid?
The molecular formula of 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid is C16H10ClN3O5S2.
What is the molecular weight of 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid?
The molecular weight of 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid is 422.98 g/mol.
Where can I buy 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid?
You can request a quote for 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-{2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.