![2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one structure](/static/products/432/4322-81-0.png)
2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one
TL;DR: 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one (CAS 4322-81-0) is a chemical compound with molecular formula C14H10ClNOS and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]-1,2-benzothiazol-3-one
Also Known As: J1.728.654D, 2-(4-chlorobenzyl)benzo[d]isothiazol-3(2H)-one, 2-(4-Chlorobenzyl)-1,2-benzisothiazole-3(2H)-one, 2-[(4-chlorophenyl)methyl]-1,2-benzothiazol-3-one, 2-[(4-chlorophenyl)methyl]-2,3-dihydro-1,2-benzothiazol-3-one
| Molecular Formula | C14H10ClNOS |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 3.7647 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.01715 |
| Heavy Atoms | 18 |
| Complexity | 742.325 |
Chemical Identifiers
| CAS Number | 4322-81-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2)CC3=CC=C(C=C3)Cl |
Product Overview
2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one (CAS 4322-81-0), with molecular formula C14H10ClNOS and molecular weight 275.02 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one
Property Insights of 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one
The XLogP value of 3.7647 indicates that 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one 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-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one?
The CAS number of 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one is 4322-81-0.
What is the molecular formula of 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one?
The molecular formula of 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one is C14H10ClNOS.
What is the molecular weight of 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one?
The molecular weight of 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one is 275.02 g/mol.
Where can I buy 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one?
You can request a quote for 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)methyl]-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.