4-Methylphenyl beta-phenylpropionate
TL;DR: 4-Methylphenyl beta-phenylpropionate (CAS 22020-95-7) is a chemical compound with molecular formula C16H16O2 and molecular weight 240.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl) 3-phenylpropanoate
Also Known As: p-Tolyl 3-phenylpropanoate, p-tolyl 3-phenylpro-panoate, 4-Methylphenylbeta-phenylpropionate, 4-Methylphenyl 3-phenylpropanoate, (4-methylphenyl) 3-phenylpropanoate
| Molecular Formula | C16H16O2 |
|---|---|
| Molecular Weight | 240.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.11504 |
| Heavy Atoms | 18 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 22020-95-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OC(=O)CCC2=CC=CC=C2 |
| InChIKey | CXBNNSQNNIVMFA-UHFFFAOYSA-N |
Product Overview
4-Methylphenyl beta-phenylpropionate (CAS 22020-95-7), with molecular formula C16H16O2 and molecular weight 240.12 g/mol. IUPAC: (4-methylphenyl) 3-phenylpropanoate.
Chemical Property Profile of 4-Methylphenyl beta-phenylpropionate
Property Insights of 4-Methylphenyl beta-phenylpropionate
The XLogP value of 3.9 indicates that 4-Methylphenyl beta-phenylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methylphenyl beta-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl beta-phenylpropionate 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 4-Methylphenyl beta-phenylpropionate?
The CAS number of 4-Methylphenyl beta-phenylpropionate is 22020-95-7.
What is the molecular formula of 4-Methylphenyl beta-phenylpropionate?
The molecular formula of 4-Methylphenyl beta-phenylpropionate is C16H16O2.
What is the molecular weight of 4-Methylphenyl beta-phenylpropionate?
The molecular weight of 4-Methylphenyl beta-phenylpropionate is 240.12 g/mol.
Where can I buy 4-Methylphenyl beta-phenylpropionate?
You can request a quote for 4-Methylphenyl beta-phenylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl beta-phenylpropionate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl beta-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.