Methyl 2-propanesulfonate
TL;DR: Methyl 2-propanesulfonate (CAS 2819-09-2) is a chemical compound with molecular formula C4H10O3S and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl propane-2-sulfonate
Also Known As: Methyl 2-propanesulfonate, methyl propane-2-sulfonate, methyl isopropanesulfonate, 2-Propanesulfonic acid, methyl ester, 2-Propanesulfonic acid methyl ester
| Molecular Formula | C4H10O3S |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.03506 |
| Heavy Atoms | 8 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 2819-09-2 |
|---|---|
| SMILES | CC(C)S(=O)(=O)OC |
| InChIKey | OPXDBDREIMXFRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-propanesulfonate (CAS 2819-09-2), with molecular formula C4H10O3S and molecular weight 138.04 g/mol. IUPAC: methyl propane-2-sulfonate.
Chemical Property Profile of Methyl 2-propanesulfonate
Property Insights of Methyl 2-propanesulfonate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-propanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Methyl 2-propanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-propanesulfonate 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 2-propanesulfonate?
The CAS number of Methyl 2-propanesulfonate is 2819-09-2.
What is the molecular formula of Methyl 2-propanesulfonate?
The molecular formula of Methyl 2-propanesulfonate is C4H10O3S.
What is the molecular weight of Methyl 2-propanesulfonate?
The molecular weight of Methyl 2-propanesulfonate is 138.04 g/mol.
Where can I buy Methyl 2-propanesulfonate?
You can request a quote for Methyl 2-propanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-propanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-propanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.