Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate
TL;DR: Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate (CAS 42307-46-0) is a chemical compound with molecular formula C17H16O2 and molecular weight 252.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-3-(4-methylphenyl)-2-phenylprop-2-enoate
Also Known As: methyl (2E)-3-(4-methylphenyl)-2-phenylprop-2-enoate, methyl (E)-3-(4-methylphenyl)-2-phenylprop-2-enoate, Methyl (alphaE)-alpha-[(4-methylphenyl)methylene]benzeneacetate, Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate, Methyl (I+/-E)-I+/--[(4-methylphenyl)methylene]benzeneacetate
| Molecular Formula | C17H16O2 |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | 3.70862 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.11504 |
| Heavy Atoms | 19 |
| Complexity | 580.41895 |
Chemical Identifiers
| CAS Number | 42307-46-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C(\C2=CC=CC=C2)/C(=O)OC |
Product Overview
Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate (CAS 42307-46-0), with molecular formula C17H16O2 and molecular weight 252.12 g/mol. IUPAC: methyl (E)-3-(4-methylphenyl)-2-phenylprop-2-enoate.
Chemical Property Profile of Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate
Property Insights of Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate
The XLogP value of 3.70862 indicates that Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate 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 (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate 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 (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate?
The CAS number of Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate is 42307-46-0.
What is the molecular formula of Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate?
The molecular formula of Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate is C17H16O2.
What is the molecular weight of Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate?
The molecular weight of Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate is 252.12 g/mol.
Where can I buy Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate?
You can request a quote for Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (alphaE)-alpha-((4-methylphenyl)methylene)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.