3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide
TL;DR: 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide (CAS 861211-84-9) is a chemical compound with molecular formula C16H12Cl3NOS and molecular weight 370.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide
Also Known As: 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide, (E)-3-(benzylsulfanyl)-2,3-dichloro-N-(2-chlorophenyl)-2-propenamide
| Molecular Formula | C16H12Cl3NOS |
|---|---|
| Molecular Weight | 370.97 g/mol |
| LogP | 5.8586 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.97052 |
| Heavy Atoms | 22 |
| Complexity | 688.8001 |
Chemical Identifiers
| CAS Number | 861211-84-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC(=C(C(=O)NC2=CC=CC=C2Cl)Cl)Cl |
Product Overview
3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide (CAS 861211-84-9), with molecular formula C16H12Cl3NOS and molecular weight 370.97 g/mol. IUPAC: 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide.
Chemical Property Profile of 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide
Property Insights of 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide
The XLogP value of 5.8586 indicates that 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide 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 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide?
The CAS number of 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide is 861211-84-9.
What is the molecular formula of 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide?
The molecular formula of 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide is C16H12Cl3NOS.
What is the molecular weight of 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide?
The molecular weight of 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide is 370.97 g/mol.
Where can I buy 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide?
You can request a quote for 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-benzylsulfanyl-2,3-dichloro-N-(2-chlorophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.