N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide
TL;DR: N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide (CAS 565194-61-8) is a chemical compound with molecular formula C11H12ClNO2S and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroacetyl)-3-phenylsulfanylpropanamide
Also Known As: N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide, 2-Chloro-N-(3-phenylsulfanyl-propionyl)-acetamide, N-(2-chloroacetyl)-3-phenylsulfanylpropanamide, n-(2-Chloroacetyl)-3-(phenylthio)propanamide, N-(2-chloroacetyl)-3-phenylsulfanyl-propanamide
| Molecular Formula | C11H12ClNO2S |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 2.0504 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.02774 |
| Heavy Atoms | 16 |
| Complexity | 356.26202 |
Chemical Identifiers
| CAS Number | 565194-61-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)SCCC(=O)NC(=O)CCl |
Product Overview
N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide (CAS 565194-61-8), with molecular formula C11H12ClNO2S and molecular weight 257.03 g/mol. IUPAC: N-(2-chloroacetyl)-3-phenylsulfanylpropanamide.
Chemical Property Profile of N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide
Property Insights of N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide
The XLogP value of 2.0504 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide has 1 hydrogen bond donor(s) and 3 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 N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide?
The CAS number of N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide is 565194-61-8.
What is the molecular formula of N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide?
The molecular formula of N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide is C11H12ClNO2S.
What is the molecular weight of N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide?
The molecular weight of N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide is 257.03 g/mol.
Where can I buy N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide?
You can request a quote for N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloroacetyl)-3-(phenylsulfanyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.