3-Benzyl-2(3H)-benzothiazolone
TL;DR: 3-Benzyl-2(3H)-benzothiazolone (CAS 22291-74-3) 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.
3-benzyl-1,3-benzothiazol-2-one
Also Known As: 3-benzyl-1,3-benzothiazol-2(3H)-one, 3-benzyl-1,3-benzothiazol-2-one, TimTec1_008033, 3-Benzyl-2(3H)-benzothiazolone, 3-Benzyl-3H-benzothiazol-2-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 | 22291-74-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=O |
Product Overview
3-Benzyl-2(3H)-benzothiazolone (CAS 22291-74-3), with molecular formula C14H11NOS and molecular weight 241.06 g/mol. IUPAC: 3-benzyl-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-Benzyl-2(3H)-benzothiazolone
Property Insights of 3-Benzyl-2(3H)-benzothiazolone
The XLogP value of 3.1113 indicates that 3-Benzyl-2(3H)-benzothiazolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 3-Benzyl-2(3H)-benzothiazolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2(3H)-benzothiazolone 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-Benzyl-2(3H)-benzothiazolone?
The CAS number of 3-Benzyl-2(3H)-benzothiazolone is 22291-74-3.
What is the molecular formula of 3-Benzyl-2(3H)-benzothiazolone?
The molecular formula of 3-Benzyl-2(3H)-benzothiazolone is C14H11NOS.
What is the molecular weight of 3-Benzyl-2(3H)-benzothiazolone?
The molecular weight of 3-Benzyl-2(3H)-benzothiazolone is 241.06 g/mol.
Where can I buy 3-Benzyl-2(3H)-benzothiazolone?
You can request a quote for 3-Benzyl-2(3H)-benzothiazolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-2(3H)-benzothiazolone?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-2(3H)-benzothiazolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.