Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate
TL;DR: Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate (CAS 85680-04-2) is a chemical compound with molecular formula C10H17NO5S and molecular weight 263.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-acetamido-3-(3-methoxy-3-oxopropyl)sulfanylpropanoate
Also Known As: N-[(4-bromophenyl)methyl]ethanamine, methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate, methyl N-acetyl-S-(2-methoxycarbonylethyl)-l-cysteinate, L-Cysteine, N-acetyl-S-(3-methoxy-3-oxopropyl)-, methyl ester, methyl (2R)-2-acetamido-3-(3-methoxy-3-oxopropyl)sulfanylpropanoate
| Molecular Formula | C10H17NO5S |
|---|---|
| Molecular Weight | 263.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 263.08273 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 85680-04-2 |
|---|---|
| SMILES | CC(=O)N[C@@H](CSCCC(=O)OC)C(=O)OC |
| InChIKey | UUWIGRAKKYJSQT-QMMMGPOBSA-N |
Product Overview
Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate (CAS 85680-04-2), with molecular formula C10H17NO5S and molecular weight 263.08 g/mol. IUPAC: methyl (2R)-2-acetamido-3-(3-methoxy-3-oxopropyl)sulfanylpropanoate.
Chemical Property Profile of Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate
Property Insights of Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate. Following Lipinski's Rule of Five, Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate has 1 hydrogen bond donor(s) and 6 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 (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate?
The CAS number of Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate is 85680-04-2.
What is the molecular formula of Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate?
The molecular formula of Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate is C10H17NO5S.
What is the molecular weight of Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate?
The molecular weight of Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate is 263.08 g/mol.
Where can I buy Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate?
You can request a quote for Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (2R)-2-acetamido-3-(2-methoxycarbonylethylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.