1-Phenyl-3-methylpenta-1,2,4-triene
TL;DR: 1-Phenyl-3-methylpenta-1,2,4-triene (CAS 93247-38-2) is a chemical compound with molecular formula C12H12 and molecular weight 156.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpenta-1,2,4-trienylbenzene
Also Known As: 1-Phenyl-3-methylpenta-1,2,4-triene, 3-methylpenta-1,2,4-trienylbenzene, 1-phenyl-3-methylpenta-1,2,4-trien, (3-Methyl-1,2,4-pentatrienyl)benzene, 3-methyl-penta-1,2,4-trienyl-benzene
| Molecular Formula | C12H12 |
|---|---|
| Molecular Weight | 156.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.0939 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 93247-38-2 |
|---|---|
| SMILES | CC(=C=CC1=CC=CC=C1)C=C |
| InChIKey | VDUSOJVUMOPTBE-UHFFFAOYSA-N |
Product Overview
1-Phenyl-3-methylpenta-1,2,4-triene (CAS 93247-38-2), with molecular formula C12H12 and molecular weight 156.09 g/mol. IUPAC: 3-methylpenta-1,2,4-trienylbenzene.
Chemical Property Profile of 1-Phenyl-3-methylpenta-1,2,4-triene
Property Insights of 1-Phenyl-3-methylpenta-1,2,4-triene
The XLogP value of 3.6 indicates that 1-Phenyl-3-methylpenta-1,2,4-triene 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-Phenyl-3-methylpenta-1,2,4-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-methylpenta-1,2,4-triene 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-Phenyl-3-methylpenta-1,2,4-triene?
The CAS number of 1-Phenyl-3-methylpenta-1,2,4-triene is 93247-38-2.
What is the molecular formula of 1-Phenyl-3-methylpenta-1,2,4-triene?
The molecular formula of 1-Phenyl-3-methylpenta-1,2,4-triene is C12H12.
What is the molecular weight of 1-Phenyl-3-methylpenta-1,2,4-triene?
The molecular weight of 1-Phenyl-3-methylpenta-1,2,4-triene is 156.09 g/mol.
Where can I buy 1-Phenyl-3-methylpenta-1,2,4-triene?
You can request a quote for 1-Phenyl-3-methylpenta-1,2,4-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-methylpenta-1,2,4-triene?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-methylpenta-1,2,4-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.