4-(1,3-Benzothiazol-2-yl)-2-chlorophenol
TL;DR: 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol (CAS 749906-91-0) 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-(1,3-benzothiazol-2-yl)-2-chlorophenol
Also Known As: 4-(1,3-benzothiazol-2-yl)-2-chlorophenol, 4-(1,3-benzothiazol-2-yl)-2-chloro-phenol, 4-(3H-1,3-benzothiazol-2-ylidene)-2-chlorocyclohexa-2,5-dien-1-one, 996-818-9, RefChem:510147
| Molecular Formula | C13H8ClNOS |
|---|---|
| Molecular Weight | 261.00 g/mol |
| LogP | 4.3223 |
| Topological Polar Surface Area | 33.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.00153 |
| Heavy Atoms | 17 |
| Complexity | 659.7023 |
Chemical Identifiers
| CAS Number | 749906-91-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)O)Cl |
Product Overview
4-(1,3-Benzothiazol-2-yl)-2-chlorophenol (CAS 749906-91-0), with molecular formula C13H8ClNOS and molecular weight 261.00 g/mol. IUPAC: 4-(1,3-benzothiazol-2-yl)-2-chlorophenol.
Chemical Property Profile of 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol
Property Insights of 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol
The XLogP value of 4.3223 indicates that 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.12 Ų, 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol has 1 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-(1,3-Benzothiazol-2-yl)-2-chlorophenol?
The CAS number of 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol is 749906-91-0.
What is the molecular formula of 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol?
The molecular formula of 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol is C13H8ClNOS.
What is the molecular weight of 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol?
The molecular weight of 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol is 261.00 g/mol.
Where can I buy 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol?
You can request a quote for 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Benzothiazol-2-yl)-2-chlorophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.