Ethyl 3-sulfanylvalinate
TL;DR: Ethyl 3-sulfanylvalinate (CAS 93700-41-5) is a chemical compound with molecular formula C7H15NO2S and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-3-methyl-3-sulfanylbutanoate
Also Known As: Ethyl 3-sulfanylvalinate, 3-Mercaptovaline ethyl ester, ethyl 2-amino-3-methyl-3-sulfanylbutanoate
| Molecular Formula | C7H15NO2S |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.08235 |
| Heavy Atoms | 11 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 93700-41-5 |
|---|---|
| SMILES | CCOC(=O)C(C(C)(C)S)N |
| InChIKey | BIGXCCFRDGBPJN-UHFFFAOYSA-N |
Product Overview
Ethyl 3-sulfanylvalinate (CAS 93700-41-5), with molecular formula C7H15NO2S and molecular weight 177.08 g/mol. IUPAC: ethyl 2-amino-3-methyl-3-sulfanylbutanoate.
Chemical Property Profile of Ethyl 3-sulfanylvalinate
Property Insights of Ethyl 3-sulfanylvalinate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-sulfanylvalinate. With a topological polar surface area (TPSA) of 53.3 Ų, Ethyl 3-sulfanylvalinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-sulfanylvalinate has 2 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 3-sulfanylvalinate?
The CAS number of Ethyl 3-sulfanylvalinate is 93700-41-5.
What is the molecular formula of Ethyl 3-sulfanylvalinate?
The molecular formula of Ethyl 3-sulfanylvalinate is C7H15NO2S.
What is the molecular weight of Ethyl 3-sulfanylvalinate?
The molecular weight of Ethyl 3-sulfanylvalinate is 177.08 g/mol.
Where can I buy Ethyl 3-sulfanylvalinate?
You can request a quote for Ethyl 3-sulfanylvalinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-sulfanylvalinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-sulfanylvalinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.