Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate
TL;DR: Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate (CAS 51785-99-0) is a chemical compound with molecular formula C7H15ClN2O3S and molecular weight 242.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate;hydrochloride
Also Known As: L-Cysteine analog, L-Cystein analog, L-Cystein, ethyl ester, methylcarbamate (ester), S-(N-Methylcarbamate) cysteine ethyl ester, ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate
| Molecular Formula | C7H15ClN2O3S |
|---|---|
| Molecular Weight | 242.05 g/mol |
| LogP | 0.3712 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.0492 |
| Heavy Atoms | 14 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 51785-99-0 |
|---|---|
| SMILES | CCOC(=O)C(CSC(=O)NC)N.Cl |
| InChIKey | LYLDPAYWSCPRTI-UHFFFAOYSA-N |
Product Overview
Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate (CAS 51785-99-0), with molecular formula C7H15ClN2O3S and molecular weight 242.05 g/mol. IUPAC: ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate;hydrochloride.
Chemical Property Profile of Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate
Property Insights of Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate
The XLogP value of 0.3712 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate. Following Lipinski's Rule of Five, Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate has 3 hydrogen bond donor(s) and 5 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-(methylcarbamoylsulfanyl)propanoate?
The CAS number of Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate is 51785-99-0.
What is the molecular formula of Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate?
The molecular formula of Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate is C7H15ClN2O3S.
What is the molecular weight of Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate?
The molecular weight of Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate is 242.05 g/mol.
Where can I buy Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate?
You can request a quote for Ethyl 2-amino-3-(methylcarbamoylsulfanyl)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-(methylcarbamoylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-amino-3-(methylcarbamoylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.