beta-Methylstyrene
TL;DR: beta-Methylstyrene (CAS 637-50-3) is a chemical compound with molecular formula C9H10 and molecular weight 118.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-1-enylbenzene
Also Known As: beta-Methylstyrene, Isoallylbenzene, Propenylbenzene, 1-Phenylpropene, 1-Propenylbenzene
| Molecular Formula | C9H10 |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 118.07825 |
| Heavy Atoms | 9 |
| Complexity | 86.0 |
| Melting Point | -27.3 °C |
| Boiling Point | 175.5 °C |
| Density | 0.9019 @ 25 °C |
| Solubility | Sol in acetone, benzene, ether, ethanol |
| Vapor Pressure | 0.97 [mmHg] |
| Refractive Index | = 1.5508 @ 20 °C |
Chemical Identifiers
| CAS Number | 637-50-3 |
|---|---|
| SMILES | CC=CC1=CC=CC=C1 |
| InChIKey | QROGIFZRVHSFLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
beta-Methylstyrene (CAS 637-50-3), with molecular formula C9H10 and molecular weight 118.08 g/mol. IUPAC: prop-1-enylbenzene.
Chemical Property Profile of beta-Methylstyrene
Property Insights of beta-Methylstyrene
The XLogP value of 3.2 indicates that beta-Methylstyrene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, beta-Methylstyrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Methylstyrene has 0 hydrogen bond donor(s) and 0 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 beta-Methylstyrene?
The CAS number of beta-Methylstyrene is 637-50-3.
What is the molecular formula of beta-Methylstyrene?
The molecular formula of beta-Methylstyrene is C9H10.
What is the molecular weight of beta-Methylstyrene?
The molecular weight of beta-Methylstyrene is 118.08 g/mol.
Where can I buy beta-Methylstyrene?
You can request a quote for beta-Methylstyrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Methylstyrene?
Yes, KEHONG BIO provides custom synthesis services for beta-Methylstyrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.