Methyl propanesulfinate
TL;DR: Methyl propanesulfinate (CAS 41892-32-4) is a chemical compound with molecular formula C4H10O2S and molecular weight 122.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl propane-1-sulfinate
Also Known As: Methyl propanesulfinate, methyl n-propylsulfinate, methyl propane-1-sulfinate, Methyl 1-propanesulfinate, Propane-1-sulfinicacidmethylester
| Molecular Formula | C4H10O2S |
|---|---|
| Molecular Weight | 122.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 45.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 122.04015 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 41892-32-4 |
|---|---|
| SMILES | CCCS(=O)OC |
| InChIKey | CMLBKHWHZQICER-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl propanesulfinate (CAS 41892-32-4), with molecular formula C4H10O2S and molecular weight 122.04 g/mol. IUPAC: methyl propane-1-sulfinate.
Chemical Property Profile of Methyl propanesulfinate
Property Insights of Methyl propanesulfinate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl propanesulfinate. With a topological polar surface area (TPSA) of 45.5 Ų, Methyl propanesulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl propanesulfinate has 0 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 propanesulfinate?
The CAS number of Methyl propanesulfinate is 41892-32-4.
What is the molecular formula of Methyl propanesulfinate?
The molecular formula of Methyl propanesulfinate is C4H10O2S.
What is the molecular weight of Methyl propanesulfinate?
The molecular weight of Methyl propanesulfinate is 122.04 g/mol.
Where can I buy Methyl propanesulfinate?
You can request a quote for Methyl propanesulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl propanesulfinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl propanesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.