3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide
TL;DR: 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide (CAS 64157-95-5) is a chemical compound with molecular formula C8H16ClNOS and molecular weight 209.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide
Also Known As: 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide, 3-[(2-Chloroethyl)sulfanyl]-N-(propan-2-yl)propanamide, 4(3H)-pyrimidinone,2-amino-5-(4-chlorophenyl)-6-methyl-
| Molecular Formula | C8H16ClNOS |
|---|---|
| Molecular Weight | 209.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 209.06412 |
| Heavy Atoms | 12 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 64157-95-5 |
|---|---|
| SMILES | CC(C)NC(=O)CCSCCCl |
| InChIKey | RVYLTXSZLMOUKF-UHFFFAOYSA-N |
Product Overview
3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide (CAS 64157-95-5), with molecular formula C8H16ClNOS and molecular weight 209.06 g/mol. IUPAC: 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide.
Chemical Property Profile of 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide
Property Insights of 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide has 1 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-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide?
The CAS number of 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide is 64157-95-5.
What is the molecular formula of 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide?
The molecular formula of 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide is C8H16ClNOS.
What is the molecular weight of 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide?
The molecular weight of 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide is 209.06 g/mol.
Where can I buy 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide?
You can request a quote for 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chloroethylsulfanyl)-N-propan-2-ylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.