4-(1-Phenylethyl)phenyl benzoate
TL;DR: 4-(1-Phenylethyl)phenyl benzoate (CAS 85243-22-7) is a chemical compound with molecular formula C21H18O2 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1-phenylethyl)phenyl] benzoate
Also Known As: 4-(1-phenylethyl)phenyl benzoate, [4-(1-phenylethyl)phenyl] benzoate, 4-(phenylethyl)phenyl benzoate, 5-methoxy-quinoline-2-carboxylic acid
| Molecular Formula | C21H18O2 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.13068 |
| Heavy Atoms | 23 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 85243-22-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | RHFCCOUVCUQZST-UHFFFAOYSA-N |
Product Overview
4-(1-Phenylethyl)phenyl benzoate (CAS 85243-22-7), with molecular formula C21H18O2 and molecular weight 302.13 g/mol. IUPAC: [4-(1-phenylethyl)phenyl] benzoate.
Chemical Property Profile of 4-(1-Phenylethyl)phenyl benzoate
Property Insights of 4-(1-Phenylethyl)phenyl benzoate
The XLogP value of 5.8 indicates that 4-(1-Phenylethyl)phenyl 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, 4-(1-Phenylethyl)phenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Phenylethyl)phenyl benzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-Phenylethyl)phenyl benzoate?
The CAS number of 4-(1-Phenylethyl)phenyl benzoate is 85243-22-7.
What is the molecular formula of 4-(1-Phenylethyl)phenyl benzoate?
The molecular formula of 4-(1-Phenylethyl)phenyl benzoate is C21H18O2.
What is the molecular weight of 4-(1-Phenylethyl)phenyl benzoate?
The molecular weight of 4-(1-Phenylethyl)phenyl benzoate is 302.13 g/mol.
Where can I buy 4-(1-Phenylethyl)phenyl benzoate?
You can request a quote for 4-(1-Phenylethyl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Phenylethyl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Phenylethyl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.