Methyl 3-(2-hydroxyethylsulfanyl)propanoate
TL;DR: Methyl 3-(2-hydroxyethylsulfanyl)propanoate (CAS 58046-52-9) is a chemical compound with molecular formula C6H12O3S and molecular weight 164.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-hydroxyethylsulfanyl)propanoate
Also Known As: methyl 3-(2-hydroxyethylsulfanyl)propanoate, methyl 3-[(2-hydroxyethyl)sulfanyl]propanoate, Methyl 3-(2-hydroxyethylthio)-propionate, methyl 3-((2-hydroxyethyl)thio)propanoate, Methyl 3-[(2-hydroxyethyl)thio]propanoate
| Molecular Formula | C6H12O3S |
|---|---|
| Molecular Weight | 164.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 71.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 164.05072 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 58046-52-9 |
|---|---|
| SMILES | COC(=O)CCSCCO |
| InChIKey | OASNVZFMNAEIPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 3-(2-hydroxyethylsulfanyl)propanoate (CAS 58046-52-9), with molecular formula C6H12O3S and molecular weight 164.05 g/mol. IUPAC: methyl 3-(2-hydroxyethylsulfanyl)propanoate.
Chemical Property Profile of Methyl 3-(2-hydroxyethylsulfanyl)propanoate
Property Insights of Methyl 3-(2-hydroxyethylsulfanyl)propanoate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-hydroxyethylsulfanyl)propanoate. The TPSA of 71.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-hydroxyethylsulfanyl)propanoate. Following Lipinski's Rule of Five, Methyl 3-(2-hydroxyethylsulfanyl)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 3-(2-hydroxyethylsulfanyl)propanoate?
The CAS number of Methyl 3-(2-hydroxyethylsulfanyl)propanoate is 58046-52-9.
What is the molecular formula of Methyl 3-(2-hydroxyethylsulfanyl)propanoate?
The molecular formula of Methyl 3-(2-hydroxyethylsulfanyl)propanoate is C6H12O3S.
What is the molecular weight of Methyl 3-(2-hydroxyethylsulfanyl)propanoate?
The molecular weight of Methyl 3-(2-hydroxyethylsulfanyl)propanoate is 164.05 g/mol.
Where can I buy Methyl 3-(2-hydroxyethylsulfanyl)propanoate?
You can request a quote for Methyl 3-(2-hydroxyethylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-hydroxyethylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-hydroxyethylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.