对甲基苯乙烯
TL;DR: 对甲基苯乙烯 (CAS 622-97-9) 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.
对甲基苯乙烯
1-ethenyl-4-methylbenzene
Also Known As: 4-Methylstyrene, P-Methylstyrene, 1-Methyl-4-vinylbenzene, p-Vinyltoluene, Methylstyrene
| Molecular Formula | C9H10 |
|---|---|
| Molecular Weight | 118.08 g/mol |
| LogP | 3.6 |
| 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 | -37.8 °C |
| Boiling Point | 172 °C |
| Density | 0.9173 g/cu cm at 25 °C |
| Solubility | In water, 89 mg/L at 25 °C |
| Flash Point | 125 to 52.8 °C (NFPA, 2010) |
| Vapor Pressure | 1.81 [mmHg] |
| Refractive Index | 1.5420 at 20 °C |
Chemical Identifiers
| CAS Number | 622-97-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=C |
| InChIKey | JLBJTVDPSNHSKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对甲基苯乙烯 (CAS 622-97-9), with molecular formula C9H10 and molecular weight 118.08 g/mol. IUPAC: 1-ethenyl-4-methylbenzene.
Chemical Property Profile of 对甲基苯乙烯
Property Insights of 对甲基苯乙烯
The XLogP value of 3.6 indicates that 对甲基苯乙烯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 对甲基苯乙烯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 对甲基苯乙烯 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 对甲基苯乙烯?
The CAS number of 对甲基苯乙烯 is 622-97-9.
What is the molecular formula of 对甲基苯乙烯?
The molecular formula of 对甲基苯乙烯 is C9H10.
What is the molecular weight of 对甲基苯乙烯?
The molecular weight of 对甲基苯乙烯 is 118.08 g/mol.
Where can I buy 对甲基苯乙烯?
You can request a quote for 对甲基苯乙烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对甲基苯乙烯?
Yes, KEHONG BIO provides custom synthesis services for 对甲基苯乙烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.