S-benzyl-(L)-cysteine methyl ester
TL;DR: S-benzyl-(L)-cysteine methyl ester (CAS 22728-88-7) is a chemical compound with molecular formula C11H15NO2S and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-amino-3-benzylsulfanylpropanoate
Also Known As: S-benzyl-(L)-cysteine methyl ester, s-benzylcysteine methyl ester, Methyl S-benzyl-L-cysteinate, S-benzyl-cysteine methyl ester, S-Benzyl-L-cysteine, methyl ester
| Molecular Formula | C11H15NO2S |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 225.08235 |
| Heavy Atoms | 15 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 22728-88-7 |
|---|---|
| SMILES | COC(=O)[C@H](CSCC1=CC=CC=C1)N |
| InChIKey | DELQRANKBWOLJQ-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-benzyl-(L)-cysteine methyl ester (CAS 22728-88-7), with molecular formula C11H15NO2S and molecular weight 225.08 g/mol. IUPAC: methyl (2R)-2-amino-3-benzylsulfanylpropanoate.
Chemical Property Profile of S-benzyl-(L)-cysteine methyl ester
Property Insights of S-benzyl-(L)-cysteine methyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-benzyl-(L)-cysteine methyl ester. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for S-benzyl-(L)-cysteine methyl ester. Following Lipinski's Rule of Five, S-benzyl-(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 S-benzyl-(L)-cysteine methyl ester?
The CAS number of S-benzyl-(L)-cysteine methyl ester is 22728-88-7.
What is the molecular formula of S-benzyl-(L)-cysteine methyl ester?
The molecular formula of S-benzyl-(L)-cysteine methyl ester is C11H15NO2S.
What is the molecular weight of S-benzyl-(L)-cysteine methyl ester?
The molecular weight of S-benzyl-(L)-cysteine methyl ester is 225.08 g/mol.
Where can I buy S-benzyl-(L)-cysteine methyl ester?
You can request a quote for S-benzyl-(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 S-benzyl-(L)-cysteine methyl ester?
Yes, KEHONG BIO provides custom synthesis services for S-benzyl-(L)-cysteine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.