Ethyl 2-amino-3-benzylsulfanyl-propanoate
TL;DR: Ethyl 2-amino-3-benzylsulfanyl-propanoate (CAS 953-18-4) is a chemical compound with molecular formula C12H17NO2S and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-benzylsulfanylpropanoate
Also Known As: H-L-Cys(Bzl)-OEt, L-Cysteine, ethyl ester, ethyl 2-amino-3-benzylsulfanylpropanoate, ETHYL 2-AMINO-3-BENZYLSULFANYL-PROPANOATE, J2.268.935E
| Molecular Formula | C12H17NO2S |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 239.098 |
| Heavy Atoms | 16 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 953-18-4 |
|---|---|
| SMILES | CCOC(=O)C(CSCC1=CC=CC=C1)N |
| InChIKey | CNQSZDMYASSXPV-UHFFFAOYSA-N |
Product Overview
Ethyl 2-amino-3-benzylsulfanyl-propanoate (CAS 953-18-4), with molecular formula C12H17NO2S and molecular weight 239.10 g/mol. IUPAC: ethyl 2-amino-3-benzylsulfanylpropanoate.
Chemical Property Profile of Ethyl 2-amino-3-benzylsulfanyl-propanoate
Property Insights of Ethyl 2-amino-3-benzylsulfanyl-propanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-benzylsulfanyl-propanoate. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-3-benzylsulfanyl-propanoate. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 2-amino-3-benzylsulfanyl-propanoate?
The CAS number of Ethyl 2-amino-3-benzylsulfanyl-propanoate is 953-18-4.
What is the molecular formula of Ethyl 2-amino-3-benzylsulfanyl-propanoate?
The molecular formula of Ethyl 2-amino-3-benzylsulfanyl-propanoate is C12H17NO2S.
What is the molecular weight of Ethyl 2-amino-3-benzylsulfanyl-propanoate?
The molecular weight of Ethyl 2-amino-3-benzylsulfanyl-propanoate is 239.10 g/mol.
Where can I buy Ethyl 2-amino-3-benzylsulfanyl-propanoate?
You can request a quote for Ethyl 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 Ethyl 2-amino-3-benzylsulfanyl-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-3-benzylsulfanyl-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.