2-苯乙基甲磺酸酯
TL;DR: 2-苯乙基甲磺酸酯 (CAS 20020-27-3) is a chemical compound with molecular formula C9H12O3S and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-苯乙基甲磺酸酯
2-phenylethyl methanesulfonate
Also Known As: Phenethyl methanesulfonate, 2-Phenylethyl methanesulfonate, Phenethyl mesylate, Methanesulfonic acid, 2-phenylethyl ester, 2-Phenylethyl methanesulphonate
| Molecular Formula | C9H12O3S |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.05072 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 20020-27-3 |
|---|---|
| SMILES | CS(=O)(=O)OCCC1=CC=CC=C1 |
| InChIKey | NCLPKLKVZDQOFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-苯乙基甲磺酸酯 (CAS 20020-27-3), with molecular formula C9H12O3S and molecular weight 200.05 g/mol. IUPAC: 2-phenylethyl methanesulfonate.
Chemical Property Profile of 2-苯乙基甲磺酸酯
Property Insights of 2-苯乙基甲磺酸酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-苯乙基甲磺酸酯. With a topological polar surface area (TPSA) of 51.8 Ų, 2-苯乙基甲磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-苯乙基甲磺酸酯 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 2-苯乙基甲磺酸酯?
The CAS number of 2-苯乙基甲磺酸酯 is 20020-27-3.
What is the molecular formula of 2-苯乙基甲磺酸酯?
The molecular formula of 2-苯乙基甲磺酸酯 is C9H12O3S.
What is the molecular weight of 2-苯乙基甲磺酸酯?
The molecular weight of 2-苯乙基甲磺酸酯 is 200.05 g/mol.
Where can I buy 2-苯乙基甲磺酸酯?
You can request a quote for 2-苯乙基甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-苯乙基甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-苯乙基甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.