![2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole structure](/static/products/2968/296887-00-8.webp)
2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole
TL;DR: 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole (CAS 296887-00-8) is a chemical compound with molecular formula C15H12ClNO2S2 and molecular weight 337.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)sulfonylethyl]-1,3-benzothiazole
Also Known As: BAS 01215425, 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole, 2-[2-(4-chlorophenyl)sulfonylethyl]-1,3-benzothiazole, 2-(1,3-benzothiazol-2-yl)ethyl 4-chlorophenyl sulfone, Benzothiazole, 2-[2-(4-chlorophenylsulfonyl)ethyl]-
| Molecular Formula | C15H12ClNO2S2 |
|---|---|
| Molecular Weight | 337.00 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.9998 |
| Heavy Atoms | 21 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 296887-00-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CCS(=O)(=O)C3=CC=C(C=C3)Cl |
| InChIKey | HXJIGIFNWHIAKA-UHFFFAOYSA-N |
Product Overview
2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole (CAS 296887-00-8), with molecular formula C15H12ClNO2S2 and molecular weight 337.00 g/mol. IUPAC: 2-[2-(4-chlorophenyl)sulfonylethyl]-1,3-benzothiazole.
Chemical Property Profile of 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole
Property Insights of 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole
The XLogP value of 4.2 indicates that 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole. Following Lipinski's Rule of Five, 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole has 0 hydrogen bond donor(s) and 4 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-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole?
The CAS number of 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole is 296887-00-8.
What is the molecular formula of 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole?
The molecular formula of 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole is C15H12ClNO2S2.
What is the molecular weight of 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole?
The molecular weight of 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole is 337.00 g/mol.
Where can I buy 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole?
You can request a quote for 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Chloro-benzenesulfonyl)-ethyl]-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.