Methyl 3-(4-phenyl-1,3-butadienyl)benzoate
TL;DR: Methyl 3-(4-phenyl-1,3-butadienyl)benzoate (CAS 720671-48-7) is a chemical compound with molecular formula C18H16O2 and molecular weight 264.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzoate
Also Known As: methyl 3-(4-phenyl-1,3-butadienyl)benzoate, methyl 3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzoate, AB-131/42301475
| Molecular Formula | C18H16O2 |
|---|---|
| Molecular Weight | 264.12 g/mol |
| LogP | 4.1998 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.11502 |
| Heavy Atoms | 20 |
| Complexity | 624.8763 |
Chemical Identifiers
| CAS Number | 720671-48-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)/C=C/C=C/C2=CC=CC=C2 |
Product Overview
Methyl 3-(4-phenyl-1,3-butadienyl)benzoate (CAS 720671-48-7), with molecular formula C18H16O2 and molecular weight 264.12 g/mol. IUPAC: methyl 3-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzoate.
Chemical Property Profile of Methyl 3-(4-phenyl-1,3-butadienyl)benzoate
Property Insights of Methyl 3-(4-phenyl-1,3-butadienyl)benzoate
The XLogP value of 4.1998 indicates that Methyl 3-(4-phenyl-1,3-butadienyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(4-phenyl-1,3-butadienyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-phenyl-1,3-butadienyl)benzoate has 0 hydrogen bond donor(s) and 2 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 Methyl 3-(4-phenyl-1,3-butadienyl)benzoate?
The CAS number of Methyl 3-(4-phenyl-1,3-butadienyl)benzoate is 720671-48-7.
What is the molecular formula of Methyl 3-(4-phenyl-1,3-butadienyl)benzoate?
The molecular formula of Methyl 3-(4-phenyl-1,3-butadienyl)benzoate is C18H16O2.
What is the molecular weight of Methyl 3-(4-phenyl-1,3-butadienyl)benzoate?
The molecular weight of Methyl 3-(4-phenyl-1,3-butadienyl)benzoate is 264.12 g/mol.
Where can I buy Methyl 3-(4-phenyl-1,3-butadienyl)benzoate?
You can request a quote for Methyl 3-(4-phenyl-1,3-butadienyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-phenyl-1,3-butadienyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-phenyl-1,3-butadienyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.