2-Phenylpropyl mesylate
TL;DR: 2-Phenylpropyl mesylate (CAS 79866-92-5) is a chemical compound with molecular formula C10H14O3S and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylpropyl methanesulfonate
Also Known As: 2-Phenylpropyl mesylate, 2-Phenylpropyl methanesulfonate, 2-Phenylpropylmethanesulfonate, 2-Phenylpropyl methanesulphonate, beta-Methylphenethyl methanesulfonate
| Molecular Formula | C10H14O3S |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.06636 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 79866-92-5 |
|---|---|
| SMILES | CC(COS(=O)(=O)C)C1=CC=CC=C1 |
| InChIKey | JIZDAEUWUYTROX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylpropyl mesylate (CAS 79866-92-5), with molecular formula C10H14O3S and molecular weight 214.07 g/mol. IUPAC: 2-phenylpropyl methanesulfonate.
Chemical Property Profile of 2-Phenylpropyl mesylate
Property Insights of 2-Phenylpropyl mesylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylpropyl mesylate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Phenylpropyl mesylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylpropyl mesylate 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-Phenylpropyl mesylate?
The CAS number of 2-Phenylpropyl mesylate is 79866-92-5.
What is the molecular formula of 2-Phenylpropyl mesylate?
The molecular formula of 2-Phenylpropyl mesylate is C10H14O3S.
What is the molecular weight of 2-Phenylpropyl mesylate?
The molecular weight of 2-Phenylpropyl mesylate is 214.07 g/mol.
Where can I buy 2-Phenylpropyl mesylate?
You can request a quote for 2-Phenylpropyl mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylpropyl mesylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylpropyl mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.