2-(3-Chlorophenyl)-1,3-benzothiazole
TL;DR: 2-(3-Chlorophenyl)-1,3-benzothiazole (CAS 22868-31-1) is a chemical compound with molecular formula C13H8ClNS and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)-1,3-benzothiazole
Also Known As: 2-(3-chlorophenyl)-1,3-benzothiazole, 2-(3-CHLOROPHENYL)BENZO[D]THIAZOLE, 2- BENZO[D]THIAZOLE, 2-(3-chlorophenyl)benzothiazole, 1-OCTYL-2-METHYLINDOLE
| Molecular Formula | C13H8ClNS |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | 4.6167 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.00659 |
| Heavy Atoms | 16 |
| Complexity | 611.98254 |
Chemical Identifiers
| CAS Number | 22868-31-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)Cl |
Product Overview
2-(3-Chlorophenyl)-1,3-benzothiazole (CAS 22868-31-1), with molecular formula C13H8ClNS and molecular weight 245.01 g/mol. IUPAC: 2-(3-chlorophenyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(3-Chlorophenyl)-1,3-benzothiazole
Property Insights of 2-(3-Chlorophenyl)-1,3-benzothiazole
The XLogP value of 4.6167 indicates that 2-(3-Chlorophenyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-(3-Chlorophenyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Chlorophenyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 2 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-(3-Chlorophenyl)-1,3-benzothiazole?
The CAS number of 2-(3-Chlorophenyl)-1,3-benzothiazole is 22868-31-1.
What is the molecular formula of 2-(3-Chlorophenyl)-1,3-benzothiazole?
The molecular formula of 2-(3-Chlorophenyl)-1,3-benzothiazole is C13H8ClNS.
What is the molecular weight of 2-(3-Chlorophenyl)-1,3-benzothiazole?
The molecular weight of 2-(3-Chlorophenyl)-1,3-benzothiazole is 245.01 g/mol.
Where can I buy 2-(3-Chlorophenyl)-1,3-benzothiazole?
You can request a quote for 2-(3-Chlorophenyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chlorophenyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chlorophenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.