Methyl 3-mercaptobutanoate
TL;DR: Methyl 3-mercaptobutanoate (CAS 54051-19-3) is a chemical compound with molecular formula C5H10O2S and molecular weight 134.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-sulfanylbutanoate
Also Known As: Methyl 3-sulfanylbutanoate, METHYL 3-MERCAPTOBUTANOATE, Methyl 3-mercaptobutyrate, FEMA no. 4167, METHYL3-MERCAPTOBUTANOATE
| Molecular Formula | C5H10O2S |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 0.8678 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 80.497856 |
Chemical Identifiers
| CAS Number | 54051-19-3 |
|---|---|
| SMILES | CC(CC(=O)OC)S |
Product Overview
Methyl 3-mercaptobutanoate (CAS 54051-19-3), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: methyl 3-sulfanylbutanoate.
Chemical Property Profile of Methyl 3-mercaptobutanoate
Property Insights of Methyl 3-mercaptobutanoate
The XLogP value of 0.8678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-mercaptobutanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-mercaptobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-mercaptobutanoate has 1 hydrogen bond donor(s) and 3 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-mercaptobutanoate?
The CAS number of Methyl 3-mercaptobutanoate is 54051-19-3.
What is the molecular formula of Methyl 3-mercaptobutanoate?
The molecular formula of Methyl 3-mercaptobutanoate is C5H10O2S.
What is the molecular weight of Methyl 3-mercaptobutanoate?
The molecular weight of Methyl 3-mercaptobutanoate is 134.04 g/mol.
Where can I buy Methyl 3-mercaptobutanoate?
You can request a quote for Methyl 3-mercaptobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-mercaptobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-mercaptobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.