2-(benzylthio)-N-(2-chlorobenzyl)benzamide
TL;DR: 2-(benzylthio)-N-(2-chlorobenzyl)benzamide (CAS 690646-51-6) is a chemical compound with molecular formula C21H18ClNOS and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-[(2-chlorophenyl)methyl]benzamide
Also Known As: 2-(benzylthio)-N-(2-chlorobenzyl)benzamide, 2-benzylsulfanyl-N-[(2-chlorophenyl)methyl]benzamide, 2-(BENZYLSULFANYL)-N-[(2-CHLOROPHENYL)METHYL]BENZAMIDE
| Molecular Formula | C21H18ClNOS |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 5.5623 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.07977 |
| Heavy Atoms | 25 |
| Complexity | 851.2796 |
Chemical Identifiers
| CAS Number | 690646-51-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=CC=CC=C2C(=O)NCC3=CC=CC=C3Cl |
Product Overview
2-(benzylthio)-N-(2-chlorobenzyl)benzamide (CAS 690646-51-6), with molecular formula C21H18ClNOS and molecular weight 367.08 g/mol. IUPAC: 2-benzylsulfanyl-N-[(2-chlorophenyl)methyl]benzamide.
Chemical Property Profile of 2-(benzylthio)-N-(2-chlorobenzyl)benzamide
Property Insights of 2-(benzylthio)-N-(2-chlorobenzyl)benzamide
The XLogP value of 5.5623 indicates that 2-(benzylthio)-N-(2-chlorobenzyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-(benzylthio)-N-(2-chlorobenzyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylthio)-N-(2-chlorobenzyl)benzamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylthio)-N-(2-chlorobenzyl)benzamide?
The CAS number of 2-(benzylthio)-N-(2-chlorobenzyl)benzamide is 690646-51-6.
What is the molecular formula of 2-(benzylthio)-N-(2-chlorobenzyl)benzamide?
The molecular formula of 2-(benzylthio)-N-(2-chlorobenzyl)benzamide is C21H18ClNOS.
What is the molecular weight of 2-(benzylthio)-N-(2-chlorobenzyl)benzamide?
The molecular weight of 2-(benzylthio)-N-(2-chlorobenzyl)benzamide is 367.08 g/mol.
Where can I buy 2-(benzylthio)-N-(2-chlorobenzyl)benzamide?
You can request a quote for 2-(benzylthio)-N-(2-chlorobenzyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylthio)-N-(2-chlorobenzyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylthio)-N-(2-chlorobenzyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.