N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester
TL;DR: N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester (CAS 78774-18-2) is a chemical compound with molecular formula C9H16ClNO3S and molecular weight 253.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-acetamido-3-(2-chloropropylsulfanyl)propanoate
Also Known As: methyl -2-acetamido-3- propanoate, N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester, L-Cysteine, N-acetyl-S-(2-chloropropyl)-, methyl ester, L-N-Acetyl-3-((2-chloropropyl)thio)alanine methyl ester, Alanine, N-acetyl-3-((2-chloropropyl)thio)-, methyl ester, L-
| Molecular Formula | C9H16ClNO3S |
|---|---|
| Molecular Weight | 253.05 g/mol |
| LogP | 1.0246 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 253.05394 |
| Heavy Atoms | 15 |
| Complexity | 223.403 |
Chemical Identifiers
| CAS Number | 78774-18-2 |
|---|---|
| SMILES | CC(CSC[C@@H](C(=O)OC)NC(=O)C)Cl |
Product Overview
N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester (CAS 78774-18-2), with molecular formula C9H16ClNO3S and molecular weight 253.05 g/mol. IUPAC: methyl (2R)-2-acetamido-3-(2-chloropropylsulfanyl)propanoate.
Chemical Property Profile of N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester
Property Insights of N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester
The XLogP value of 1.0246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester has 1 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-2-chloropropyl-L-cysteine methyl ester?
The CAS number of N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester is 78774-18-2.
What is the molecular formula of N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester?
The molecular formula of N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester is C9H16ClNO3S.
What is the molecular weight of N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester?
The molecular weight of N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester is 253.05 g/mol.
Where can I buy N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester?
You can request a quote for N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester 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-2-chloropropyl-L-cysteine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-S-2-chloropropyl-L-cysteine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.