1-Methyl-3-isoallylbenzene
TL;DR: 1-Methyl-3-isoallylbenzene (CAS 2077-32-9) 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.
1-methyl-3-[(E)-prop-1-enyl]benzene
Also Known As: 1-Methyl-3-isoallylbenzene, 3,beta-Dimethylstyrene, (E)-3,beta-Dimethylstyrene, 3-[(E)-1-Propenyl]toluene, 1-Methyl-3-(1-propenyl)benzene
| Molecular Formula | C10H12 |
|---|---|
| Molecular Weight | 132.09 g/mol |
| LogP | 3.02812 |
| 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 | 233.54855 |
Chemical Identifiers
| CAS Number | 2077-32-9 |
|---|---|
| SMILES | C/C=C/C1=CC=CC(=C1)C |
Product Overview
1-Methyl-3-isoallylbenzene (CAS 2077-32-9), with molecular formula C10H12 and molecular weight 132.09 g/mol. IUPAC: 1-methyl-3-[(E)-prop-1-enyl]benzene.
Chemical Property Profile of 1-Methyl-3-isoallylbenzene
Property Insights of 1-Methyl-3-isoallylbenzene
The XLogP value of 3.02812 indicates that 1-Methyl-3-isoallylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Methyl-3-isoallylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-isoallylbenzene 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 1-Methyl-3-isoallylbenzene?
The CAS number of 1-Methyl-3-isoallylbenzene is 2077-32-9.
What is the molecular formula of 1-Methyl-3-isoallylbenzene?
The molecular formula of 1-Methyl-3-isoallylbenzene is C10H12.
What is the molecular weight of 1-Methyl-3-isoallylbenzene?
The molecular weight of 1-Methyl-3-isoallylbenzene is 132.09 g/mol.
Where can I buy 1-Methyl-3-isoallylbenzene?
You can request a quote for 1-Methyl-3-isoallylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-isoallylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-isoallylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.