N-acetyl-S-(3-chloroprop-2-enyl) cysteine
TL;DR: N-acetyl-S-(3-chloroprop-2-enyl) cysteine (CAS 72072-41-4) is a chemical compound with molecular formula C8H12ClNO3S and molecular weight 237.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(3-chloroprop-2-enylsulfanyl)propanoic acid
Also Known As: ACPEC, N-acetyl-S-(3-chloroprop-2-enyl) cysteine, 3-Chloro-2-propenyl-N-acetyl-L-cysteine, N-Acetyl-S-(3-chloroprop-2-enyl)cysteine, L-Cysteine,N-acetyl-S-[(2Z)-3-chloro-2-propen-1-yl]-
| Molecular Formula | C8H12ClNO3S |
|---|---|
| Molecular Weight | 237.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 237.02264 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 72072-41-4 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSCC=CCl)C(=O)O |
| InChIKey | HTIMWNVASRHSBX-ZETCQYMHSA-N |
Product Overview
N-acetyl-S-(3-chloroprop-2-enyl) cysteine (CAS 72072-41-4), with molecular formula C8H12ClNO3S and molecular weight 237.02 g/mol. IUPAC: (2R)-2-acetamido-3-(3-chloroprop-2-enylsulfanyl)propanoic acid.
Chemical Property Profile of N-acetyl-S-(3-chloroprop-2-enyl) cysteine
Property Insights of N-acetyl-S-(3-chloroprop-2-enyl) cysteine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-acetyl-S-(3-chloroprop-2-enyl) cysteine. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-acetyl-S-(3-chloroprop-2-enyl) cysteine. Following Lipinski's Rule of Five, N-acetyl-S-(3-chloroprop-2-enyl) cysteine has 2 hydrogen bond donor(s) and 4 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-acetyl-S-(3-chloroprop-2-enyl) cysteine?
The CAS number of N-acetyl-S-(3-chloroprop-2-enyl) cysteine is 72072-41-4.
What is the molecular formula of N-acetyl-S-(3-chloroprop-2-enyl) cysteine?
The molecular formula of N-acetyl-S-(3-chloroprop-2-enyl) cysteine is C8H12ClNO3S.
What is the molecular weight of N-acetyl-S-(3-chloroprop-2-enyl) cysteine?
The molecular weight of N-acetyl-S-(3-chloroprop-2-enyl) cysteine is 237.02 g/mol.
Where can I buy N-acetyl-S-(3-chloroprop-2-enyl) cysteine?
You can request a quote for N-acetyl-S-(3-chloroprop-2-enyl) cysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-acetyl-S-(3-chloroprop-2-enyl) cysteine?
Yes, KEHONG BIO provides custom synthesis services for N-acetyl-S-(3-chloroprop-2-enyl) cysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.