1-丙磺酸甲酯
TL;DR: 1-丙磺酸甲酯 (CAS 2697-50-9) 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.
1-丙磺酸甲酯
methyl propane-1-sulfonate
Also Known As: methyl propane-1-sulfonate, Methyl 1-propanesulfonate, methylpropanesulfonate, 1-PROPANESULFONIC ACID, METHYL ESTER, 1-Propanesulfonic acid,methyl ester
| Molecular Formula | C4H10O3S |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.03506 |
| Heavy Atoms | 8 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 2697-50-9 |
|---|---|
| SMILES | CCCS(=O)(=O)OC |
| InChIKey | GBSRRQISIWGCNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-丙磺酸甲酯 (CAS 2697-50-9), with molecular formula C4H10O3S and molecular weight 138.04 g/mol. IUPAC: methyl propane-1-sulfonate.
Chemical Property Profile of 1-丙磺酸甲酯
Property Insights of 1-丙磺酸甲酯
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-丙磺酸甲酯. With a topological polar surface area (TPSA) of 51.8 Ų, 1-丙磺酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-丙磺酸甲酯 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 1-丙磺酸甲酯?
The CAS number of 1-丙磺酸甲酯 is 2697-50-9.
What is the molecular formula of 1-丙磺酸甲酯?
The molecular formula of 1-丙磺酸甲酯 is C4H10O3S.
What is the molecular weight of 1-丙磺酸甲酯?
The molecular weight of 1-丙磺酸甲酯 is 138.04 g/mol.
Where can I buy 1-丙磺酸甲酯?
You can request a quote for 1-丙磺酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-丙磺酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 1-丙磺酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.