Methyl 2-amino-3-benzylsulfanyl-propanoate
TL;DR: Methyl 2-amino-3-benzylsulfanyl-propanoate (CAS 16741-80-3) 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 2-amino-3-benzylsulfanylpropanoate
Also Known As: Methyl S-benzylcysteinate, methyl S-benzylcysteinate hydrochloride, S-Benzyl-dl-cysteine, methyl ester, Methyl 2-amino-3-(benzylthio)propanoate, methyl 2-amino-3-(benzylthio)propionate
| 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 | 16741-80-3 |
|---|---|
| SMILES | COC(=O)C(CSCC1=CC=CC=C1)N |
| InChIKey | DELQRANKBWOLJQ-UHFFFAOYSA-N |
Product Overview
Methyl 2-amino-3-benzylsulfanyl-propanoate (CAS 16741-80-3), with molecular formula C11H15NO2S and molecular weight 225.08 g/mol. IUPAC: methyl 2-amino-3-benzylsulfanylpropanoate.
Chemical Property Profile of Methyl 2-amino-3-benzylsulfanyl-propanoate
Property Insights of Methyl 2-amino-3-benzylsulfanyl-propanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-amino-3-benzylsulfanyl-propanoate. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-amino-3-benzylsulfanyl-propanoate. Following Lipinski's Rule of Five, Methyl 2-amino-3-benzylsulfanyl-propanoate 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 Methyl 2-amino-3-benzylsulfanyl-propanoate?
The CAS number of Methyl 2-amino-3-benzylsulfanyl-propanoate is 16741-80-3.
What is the molecular formula of Methyl 2-amino-3-benzylsulfanyl-propanoate?
The molecular formula of Methyl 2-amino-3-benzylsulfanyl-propanoate is C11H15NO2S.
What is the molecular weight of Methyl 2-amino-3-benzylsulfanyl-propanoate?
The molecular weight of Methyl 2-amino-3-benzylsulfanyl-propanoate is 225.08 g/mol.
Where can I buy Methyl 2-amino-3-benzylsulfanyl-propanoate?
You can request a quote for Methyl 2-amino-3-benzylsulfanyl-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-amino-3-benzylsulfanyl-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-amino-3-benzylsulfanyl-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.