Isobutenylbenzene
TL;DR: Isobutenylbenzene (CAS 768-49-0) is a chemical compound with molecular formula C10H12 and molecular weight 132.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylprop-1-enylbenzene
Also Known As: 2-Methyl-1-phenylpropene, (2-Methylprop-1-en-1-yl)benzene, isobutenylbenzene, (2-Methylpropenyl)benzene, 1-Phenyl-2-methylpropene
| Molecular Formula | C10H12 |
|---|---|
| Molecular Weight | 132.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.0939 |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 768-49-0 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)C |
| InChIKey | BTOVVHWKPVSLBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isobutenylbenzene (CAS 768-49-0), with molecular formula C10H12 and molecular weight 132.09 g/mol. IUPAC: 2-methylprop-1-enylbenzene.
Chemical Property Profile of Isobutenylbenzene
Property Insights of Isobutenylbenzene
The XLogP value of 3.8 indicates that Isobutenylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Isobutenylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutenylbenzene 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 Isobutenylbenzene?
The CAS number of Isobutenylbenzene is 768-49-0.
What is the molecular formula of Isobutenylbenzene?
The molecular formula of Isobutenylbenzene is C10H12.
What is the molecular weight of Isobutenylbenzene?
The molecular weight of Isobutenylbenzene is 132.09 g/mol.
Where can I buy Isobutenylbenzene?
You can request a quote for Isobutenylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobutenylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Isobutenylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.