1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-
TL;DR: 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)- (CAS 2514-36-5) is a chemical compound with molecular formula C14H11NOS and molecular weight 241.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1,2-benzothiazol-3-one
Also Known As: 2-BENZYL-1,2-BENZOTHIAZOL-3-ONE, 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-, 2-Benzylbenzo[d]isothiazol-3(2H)-one, 2-Benzyl-1,2-benzothiazol-3(2H)-one, 2-benzyl-2,3-dihydro-1,2-benzothiazol-3-one
| Molecular Formula | C14H11NOS |
|---|---|
| Molecular Weight | 241.06 g/mol |
| LogP | 3.1113 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.05614 |
| Heavy Atoms | 17 |
| Complexity | 696.819 |
Chemical Identifiers
| CAS Number | 2514-36-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3S2 |
Product Overview
1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)- (CAS 2514-36-5), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 2-benzyl-1,2-benzothiazol-3-one.
Chemical Property Profile of 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-
Property Insights of 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-
The XLogP value of 3.1113 indicates that 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)- 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 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-?
The CAS number of 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)- is 2514-36-5.
What is the molecular formula of 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-?
The molecular formula of 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)- is C14H11NOS.
What is the molecular weight of 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-?
The molecular weight of 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)- is 241.06 g/mol.
Where can I buy 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-?
You can request a quote for 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzisothiazol-3(2H)-one, 2-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.