甲磺酸乙酯
TL;DR: 甲磺酸乙酯 (CAS 62-50-0) is a chemical compound with molecular formula C3H8O3S and molecular weight 124.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲磺酸乙酯
ethyl methanesulfonate
Also Known As: ETHYL METHANESULFONATE, Ethyl mesylate, Half-myleran, Ethyl methanesulphonate, ethylmethanesulfonate
| Molecular Formula | C3H8O3S |
|---|---|
| Molecular Weight | 124.02 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.01942 |
| Heavy Atoms | 7 |
| Complexity | 118.0 |
| Boiling Point | 415 to 213.3 °C at 761 mmHg |
| Density | 1.1452 at 22.2 °C |
| Solubility | 50 to 100 mg/mL at 81 °F (NTP, 1992) |
| Flash Point | 100.0 °C |
| Vapor Pressure | 0.2 [mmHg] |
Chemical Identifiers
| CAS Number | 62-50-0 |
|---|---|
| SMILES | CCOS(=O)(=O)C |
| InChIKey | PLUBXMRUUVWRLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲磺酸乙酯 (CAS 62-50-0), with molecular formula C3H8O3S and molecular weight 124.02 g/mol. IUPAC: ethyl methanesulfonate.
Chemical Property Profile of 甲磺酸乙酯
Property Insights of 甲磺酸乙酯
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲磺酸乙酯. With a topological polar surface area (TPSA) of 51.8 Ų, 甲磺酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲磺酸乙酯 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 甲磺酸乙酯?
The CAS number of 甲磺酸乙酯 is 62-50-0.
What is the molecular formula of 甲磺酸乙酯?
The molecular formula of 甲磺酸乙酯 is C3H8O3S.
What is the molecular weight of 甲磺酸乙酯?
The molecular weight of 甲磺酸乙酯 is 124.02 g/mol.
Where can I buy 甲磺酸乙酯?
You can request a quote for 甲磺酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲磺酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 甲磺酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.