1-Methyl-2-(3-penten-1-yl)benzene
TL;DR: 1-Methyl-2-(3-penten-1-yl)benzene (CAS 6047-69-4) is a chemical compound with molecular formula C12H16 and molecular weight 160.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-2-pent-3-enylbenzene
Also Known As: o-(3-Pentenyl)toluene, 1-methyl-2-pent-3-enylbenzene, 1-Methyl-2-(3-penten-1-yl)benzene, Benzene, 1-methyl-2-(3-pentenyl)-, 5-o-Tolyl-2-pentene, mixture of cis and trans
| Molecular Formula | C12H16 |
|---|---|
| Molecular Weight | 160.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.1252 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 6047-69-4 |
|---|---|
| SMILES | CC=CCCC1=CC=CC=C1C |
| InChIKey | NKEQCTWCOZGWSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-2-(3-penten-1-yl)benzene (CAS 6047-69-4), with molecular formula C12H16 and molecular weight 160.13 g/mol. IUPAC: 1-methyl-2-pent-3-enylbenzene.
Chemical Property Profile of 1-Methyl-2-(3-penten-1-yl)benzene
Property Insights of 1-Methyl-2-(3-penten-1-yl)benzene
The XLogP value of 4.3 indicates that 1-Methyl-2-(3-penten-1-yl)benzene 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-2-(3-penten-1-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-(3-penten-1-yl)benzene 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-2-(3-penten-1-yl)benzene?
The CAS number of 1-Methyl-2-(3-penten-1-yl)benzene is 6047-69-4.
What is the molecular formula of 1-Methyl-2-(3-penten-1-yl)benzene?
The molecular formula of 1-Methyl-2-(3-penten-1-yl)benzene is C12H16.
What is the molecular weight of 1-Methyl-2-(3-penten-1-yl)benzene?
The molecular weight of 1-Methyl-2-(3-penten-1-yl)benzene is 160.13 g/mol.
Where can I buy 1-Methyl-2-(3-penten-1-yl)benzene?
You can request a quote for 1-Methyl-2-(3-penten-1-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-(3-penten-1-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-(3-penten-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.