2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid
TL;DR: 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid (CAS 399005-10-8) is a chemical compound with molecular formula C14H8ClNO2S and molecular weight 289.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-6-chlorobenzoic acid
Also Known As: 2-(1,3-benzothiazol-2-yl)-6-chlorobenzoic acid, 2-benzothiazol-2-yl-6-chlorobenzoic acid, 2-benzothiazol-2-yl-6-chloro-benzoic Acid
| Molecular Formula | C14H8ClNO2S |
|---|---|
| Molecular Weight | 289.00 g/mol |
| LogP | 4.3149 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.99643 |
| Heavy Atoms | 19 |
| Complexity | 748.9669 |
Chemical Identifiers
| CAS Number | 399005-10-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=C(C(=CC=C3)Cl)C(=O)O |
Product Overview
2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid (CAS 399005-10-8), with molecular formula C14H8ClNO2S and molecular weight 289.00 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-6-chlorobenzoic acid.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid
Property Insights of 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid
The XLogP value of 4.3149 indicates that 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid has 1 hydrogen bond donor(s) and 3 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-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid?
The CAS number of 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid is 399005-10-8.
What is the molecular formula of 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid?
The molecular formula of 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid is C14H8ClNO2S.
What is the molecular weight of 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid?
The molecular weight of 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid is 289.00 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid?
You can request a quote for 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-yl)-6-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.