1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene
TL;DR: 1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene (CAS 82102-26-9) is a chemical compound with molecular formula C17H16 and molecular weight 220.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
Also Known As: 1-methyl-3-(4-phenyl-1,3-butadienyl)benzene, 1-(3-methylphenyl)-4-phenyl-1,3-butadiene, J2.404.142E, 1-methyl-3-(4-phenylbuta-1,3-dien-1-yl)benzene, 1-methyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene
| Molecular Formula | C17H16 |
|---|---|
| Molecular Weight | 220.13 g/mol |
| LogP | 4.72162 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.1252 |
| Heavy Atoms | 17 |
| Complexity | 518.7444 |
Chemical Identifiers
| CAS Number | 82102-26-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)/C=C/C=C/C2=CC=CC=C2 |
Product Overview
1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene (CAS 82102-26-9), with molecular formula C17H16 and molecular weight 220.13 g/mol. IUPAC: 1-methyl-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzene.
Chemical Property Profile of 1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene
Property Insights of 1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene
The XLogP value of 4.72162 indicates that 1-Methyl-3-(4-phenyl-1,3-butadienyl)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-3-(4-phenyl-1,3-butadienyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-(4-phenyl-1,3-butadienyl)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-3-(4-phenyl-1,3-butadienyl)benzene?
The CAS number of 1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene is 82102-26-9.
What is the molecular formula of 1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene?
The molecular formula of 1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene is C17H16.
What is the molecular weight of 1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene?
The molecular weight of 1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene is 220.13 g/mol.
Where can I buy 1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene?
You can request a quote for 1-Methyl-3-(4-phenyl-1,3-butadienyl)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-3-(4-phenyl-1,3-butadienyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-(4-phenyl-1,3-butadienyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.