4-Chloro-2-phenoxybenzothiazole
TL;DR: 4-Chloro-2-phenoxybenzothiazole (CAS 39572-08-2) is a chemical compound with molecular formula C13H8ClNOS and molecular weight 261.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-phenoxy-1,3-benzothiazole
Also Known As: 4-Chloro-2-phenoxybenzothiazole, EINECS 254-523-6, 4-chloro-2-phenoxy-1,3-benzothiazole, 4-chloro-2-phenoxybenzo[d]thiazole, Benzothiazole,4-chloro-2-phenoxy-
| Molecular Formula | C13H8ClNOS |
|---|---|
| Molecular Weight | 261.00 g/mol |
| LogP | 4.742 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.00153 |
| Heavy Atoms | 17 |
| Complexity | 650.8332 |
Chemical Identifiers
| CAS Number | 39572-08-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=NC3=C(S2)C=CC=C3Cl |
Product Overview
4-Chloro-2-phenoxybenzothiazole (CAS 39572-08-2), with molecular formula C13H8ClNOS and molecular weight 261.00 g/mol. IUPAC: 4-chloro-2-phenoxy-1,3-benzothiazole.
Chemical Property Profile of 4-Chloro-2-phenoxybenzothiazole
Property Insights of 4-Chloro-2-phenoxybenzothiazole
The XLogP value of 4.742 indicates that 4-Chloro-2-phenoxybenzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.12 Ų, 4-Chloro-2-phenoxybenzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-phenoxybenzothiazole has 0 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 4-Chloro-2-phenoxybenzothiazole?
The CAS number of 4-Chloro-2-phenoxybenzothiazole is 39572-08-2.
What is the molecular formula of 4-Chloro-2-phenoxybenzothiazole?
The molecular formula of 4-Chloro-2-phenoxybenzothiazole is C13H8ClNOS.
What is the molecular weight of 4-Chloro-2-phenoxybenzothiazole?
The molecular weight of 4-Chloro-2-phenoxybenzothiazole is 261.00 g/mol.
Where can I buy 4-Chloro-2-phenoxybenzothiazole?
You can request a quote for 4-Chloro-2-phenoxybenzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-phenoxybenzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-phenoxybenzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.