4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester
TL;DR: 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester (CAS 565172-43-2) is a chemical compound with molecular formula C14H10ClNO3S2 and molecular weight 338.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzothiazol-2-ylmethyl 4-chlorobenzenesulfonate
Also Known As: 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester, (1,3-benzothiazol-2-yl)methyl 4-chlorobenzene-1-sulfonate, 1,3-benzothiazol-2-ylmethyl 4-chlorobenzene-1-sulfonate, Benzo[d]thiazol-2-ylmethyl 4-chlorobenzenesulfonate, 1,3-benzothiazol-2-ylmethyl 4-chlorobenzenesulfonate
| Molecular Formula | C14H10ClNO3S2 |
|---|---|
| Molecular Weight | 338.98 g/mol |
| LogP | 3.8552 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.97906 |
| Heavy Atoms | 21 |
| Complexity | 839.6303 |
Chemical Identifiers
| CAS Number | 565172-43-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)COS(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester (CAS 565172-43-2), with molecular formula C14H10ClNO3S2 and molecular weight 338.98 g/mol. IUPAC: 1,3-benzothiazol-2-ylmethyl 4-chlorobenzenesulfonate.
Chemical Property Profile of 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester
Property Insights of 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester
The XLogP value of 3.8552 indicates that 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester has 0 hydrogen bond donor(s) and 5 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-benzenesulfonic acid benzothiazol-2-ylmethyl ester?
The CAS number of 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester is 565172-43-2.
What is the molecular formula of 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester?
The molecular formula of 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester is C14H10ClNO3S2.
What is the molecular weight of 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester?
The molecular weight of 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester is 338.98 g/mol.
Where can I buy 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester?
You can request a quote for 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-benzenesulfonic acid benzothiazol-2-ylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.