Methyl 2-methyl-3-mercaptopropionate
TL;DR: Methyl 2-methyl-3-mercaptopropionate (CAS 4131-76-4) 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 2-methyl-3-sulfanylpropanoate
Also Known As: methyl 2-methyl-3-sulfanylpropanoate, Methyl 2-methyl-3-mercaptopropionate, methyl b-mercaptoisobutyrate, methyl 3-mercapto-2-methylpropanoate, methyl 3-mercapto-2-methylpropionate
| Molecular Formula | C5H10O2S |
|---|---|
| Molecular Weight | 134.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 134.04015 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 4131-76-4 |
|---|---|
| SMILES | CC(CS)C(=O)OC |
| InChIKey | PXSVQMKXJZTWPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methyl-3-mercaptopropionate (CAS 4131-76-4), with molecular formula C5H10O2S and molecular weight 134.04 g/mol. IUPAC: methyl 2-methyl-3-sulfanylpropanoate.
Chemical Property Profile of Methyl 2-methyl-3-mercaptopropionate
Property Insights of Methyl 2-methyl-3-mercaptopropionate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-3-mercaptopropionate. With a topological polar surface area (TPSA) of 27.3 Ų, Methyl 2-methyl-3-mercaptopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyl-3-mercaptopropionate 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 2-methyl-3-mercaptopropionate?
The CAS number of Methyl 2-methyl-3-mercaptopropionate is 4131-76-4.
What is the molecular formula of Methyl 2-methyl-3-mercaptopropionate?
The molecular formula of Methyl 2-methyl-3-mercaptopropionate is C5H10O2S.
What is the molecular weight of Methyl 2-methyl-3-mercaptopropionate?
The molecular weight of Methyl 2-methyl-3-mercaptopropionate is 134.04 g/mol.
Where can I buy Methyl 2-methyl-3-mercaptopropionate?
You can request a quote for Methyl 2-methyl-3-mercaptopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyl-3-mercaptopropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-3-mercaptopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.