(4-Methyl-1,3-pentadienyl)benzene
TL;DR: (4-Methyl-1,3-pentadienyl)benzene (CAS 72486-22-7) is a chemical compound with molecular formula C12H14 and molecular weight 158.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpenta-1,3-dienylbenzene
Also Known As: 4-methylpenta-1,3-dienylbenzene, (4-methyl-1,3-pentadienyl)benzene, 1-phenyl-4-methyl-1,3-pentadiene
| Molecular Formula | C12H14 |
|---|---|
| Molecular Weight | 158.11 g/mol |
| LogP | 3.666 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.10954 |
| Heavy Atoms | 12 |
| Complexity | 274.16644 |
Chemical Identifiers
| CAS Number | 72486-22-7 |
|---|---|
| SMILES | CC(=CC=CC1=CC=CC=C1)C |
Product Overview
(4-Methyl-1,3-pentadienyl)benzene (CAS 72486-22-7), with molecular formula C12H14 and molecular weight 158.11 g/mol. IUPAC: 4-methylpenta-1,3-dienylbenzene.
Chemical Property Profile of (4-Methyl-1,3-pentadienyl)benzene
Property Insights of (4-Methyl-1,3-pentadienyl)benzene
The XLogP value of 3.666 indicates that (4-Methyl-1,3-pentadienyl)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, (4-Methyl-1,3-pentadienyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methyl-1,3-pentadienyl)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 (4-Methyl-1,3-pentadienyl)benzene?
The CAS number of (4-Methyl-1,3-pentadienyl)benzene is 72486-22-7.
What is the molecular formula of (4-Methyl-1,3-pentadienyl)benzene?
The molecular formula of (4-Methyl-1,3-pentadienyl)benzene is C12H14.
What is the molecular weight of (4-Methyl-1,3-pentadienyl)benzene?
The molecular weight of (4-Methyl-1,3-pentadienyl)benzene is 158.11 g/mol.
Where can I buy (4-Methyl-1,3-pentadienyl)benzene?
You can request a quote for (4-Methyl-1,3-pentadienyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-1,3-pentadienyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-1,3-pentadienyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.