N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester
TL;DR: N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester (CAS 78774-17-1) is a chemical compound with molecular formula C8H14ClNO3S and molecular weight 239.0383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-acetamido-3-(2-chloroethylsulfanyl)propanoate
Also Known As: N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester, L-N-Acetyl-3-((2-chloroethyl)thio)alanine methyl ester, methyl 2-acetamido-3-(2-chloroethylsulfanyl)propanoate, ALANINE, N-ACETYL-3-((2-CHLOROETHYL)THIO)-, METHYL ESTER, L-, methyl (2R)-2-acetamido-3-(2-chloroethylsulfanyl)propanoate
Technical Specifications
| Molecular Formula | C8H14ClNO3S |
| Molecular Weight | 239.0383 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.0383 Da |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
| SMILES | CC(=O)NC(CSCCCl)C(=O)OC |
| InChIKey | KJBPUKJOQNOICM-UHFFFAOYSA-N |
Chemical Property Profile of N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester
Property Insights of N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester. Following Lipinski's Rule of Five, N-Acetyl-S-2-chloroethyl-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
What is the CAS number of N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester?
The CAS number of N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester is 78774-17-1.
What is the molecular formula of N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester?
The molecular formula of N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester is C8H14ClNO3S.
What is the molecular weight of N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester?
The molecular weight of N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester is 239.0383 g/mol.
Where can I buy N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester?
You can request a quote for N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester?
Yes, CoreyChem provides custom synthesis services for N-Acetyl-S-2-chloroethyl-L-cysteine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.