3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one
TL;DR: 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one (CAS 5350-09-4) 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.
3-[(2-chlorophenyl)methyl]-1,3-benzothiazol-2-one
Also Known As: 3-(2-chlorobenzyl)-1,3-benzothiazol-2(3h)-one, AB00081869-01, 3-[(2-chlorophenyl)methyl]-1,3-benzothiazol-2-one, 3-[(2-chlorophenyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one
| Molecular Formula | C14H10ClNOS |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.01715 |
| Heavy Atoms | 18 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 5350-09-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C3=CC=CC=C3SC2=O)Cl |
| InChIKey | OHHZLGDXPYWUAW-UHFFFAOYSA-N |
Product Overview
3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one (CAS 5350-09-4), with molecular formula C14H10ClNOS and molecular weight 275.02 g/mol. IUPAC: 3-[(2-chlorophenyl)methyl]-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one
Property Insights of 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one
The XLogP value of 4.0 indicates that 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-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 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one?
The CAS number of 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one is 5350-09-4.
What is the molecular formula of 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one?
The molecular formula of 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one is C14H10ClNOS.
What is the molecular weight of 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one?
The molecular weight of 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one is 275.02 g/mol.
Where can I buy 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one?
You can request a quote for 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chlorobenzyl)-1,3-benzothiazol-2(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.