1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl-
TL;DR: 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl- (CAS 115846-96-3) is a chemical compound with molecular formula C18H16O and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
Also Known As: 2-trimethylstannylbenzothiophene, 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl-, 1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one, 1-phenyl-5-(4-tolyl)-1,4-pentadiene-3-one, 1-(4-methylphenyl)-5-phenyl-penta-1,4-dien-3-one
| Molecular Formula | C18H16O |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 4.29072 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.12012 |
| Heavy Atoms | 19 |
| Complexity | 589.3472 |
Chemical Identifiers
| CAS Number | 115846-96-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2 |
Product Overview
1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl- (CAS 115846-96-3), with molecular formula C18H16O and molecular weight 248.12 g/mol. IUPAC: 1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one.
Chemical Property Profile of 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl-
Property Insights of 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl-
The XLogP value of 4.29072 indicates that 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl- has 0 hydrogen bond donor(s) and 1 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 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl-?
The CAS number of 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl- is 115846-96-3.
What is the molecular formula of 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl-?
The molecular formula of 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl- is C18H16O.
What is the molecular weight of 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl-?
The molecular weight of 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl- is 248.12 g/mol.
Where can I buy 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl-?
You can request a quote for 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Pentadien-3-one, 1-(4-methylphenyl)-5-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.