5-Chloro-2-phenyl-1,3-benzothiazole
TL;DR: 5-Chloro-2-phenyl-1,3-benzothiazole (CAS 952-16-9) 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.
5-chloro-2-phenyl-1,3-benzothiazole
Also Known As: 5-chloro-2-phenyl-1,3-benzothiazole, 5-Chloro-2-phenylbenzothiazole, 5-chloro-2-phenylbenzo[d]thiazole, 5-chloro-2-phenyl-benzothiazole, 2-Phenyl-5-chlorobenzothiazole
| Molecular Formula | C13H8ClNS |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.00659 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 952-16-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl |
| InChIKey | SVTDXKPYBJXBJR-UHFFFAOYSA-N |
Product Overview
5-Chloro-2-phenyl-1,3-benzothiazole (CAS 952-16-9), with molecular formula C13H8ClNS and molecular weight 245.01 g/mol. IUPAC: 5-chloro-2-phenyl-1,3-benzothiazole.
Chemical Property Profile of 5-Chloro-2-phenyl-1,3-benzothiazole
Property Insights of 5-Chloro-2-phenyl-1,3-benzothiazole
The XLogP value of 4.9 indicates that 5-Chloro-2-phenyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, 5-Chloro-2-phenyl-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-phenyl-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 5-Chloro-2-phenyl-1,3-benzothiazole?
The CAS number of 5-Chloro-2-phenyl-1,3-benzothiazole is 952-16-9.
What is the molecular formula of 5-Chloro-2-phenyl-1,3-benzothiazole?
The molecular formula of 5-Chloro-2-phenyl-1,3-benzothiazole is C13H8ClNS.
What is the molecular weight of 5-Chloro-2-phenyl-1,3-benzothiazole?
The molecular weight of 5-Chloro-2-phenyl-1,3-benzothiazole is 245.01 g/mol.
Where can I buy 5-Chloro-2-phenyl-1,3-benzothiazole?
You can request a quote for 5-Chloro-2-phenyl-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 5-Chloro-2-phenyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-phenyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.