Ethyl (1,1'-biphenyl)-4-carboxylate
TL;DR: Ethyl (1,1'-biphenyl)-4-carboxylate (CAS 785-79-5) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-phenylbenzoate
Also Known As: ethyl biphenyl-4-carboxylate, ethyl 4-phenylbenzoate, null, ethyl [1,1'-biphenyl]-4-carboxylate, Biphenyl-4-carboxylic acid ethyl ester
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 785-79-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | FFQZMOHAQYZTNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (1,1'-biphenyl)-4-carboxylate (CAS 785-79-5), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: ethyl 4-phenylbenzoate.
Chemical Property Profile of Ethyl (1,1'-biphenyl)-4-carboxylate
Property Insights of Ethyl (1,1'-biphenyl)-4-carboxylate
The XLogP value of 4.3 indicates that Ethyl (1,1'-biphenyl)-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl (1,1'-biphenyl)-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (1,1'-biphenyl)-4-carboxylate 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 Ethyl (1,1'-biphenyl)-4-carboxylate?
The CAS number of Ethyl (1,1'-biphenyl)-4-carboxylate is 785-79-5.
What is the molecular formula of Ethyl (1,1'-biphenyl)-4-carboxylate?
The molecular formula of Ethyl (1,1'-biphenyl)-4-carboxylate is C15H14O2.
What is the molecular weight of Ethyl (1,1'-biphenyl)-4-carboxylate?
The molecular weight of Ethyl (1,1'-biphenyl)-4-carboxylate is 226.10 g/mol.
Where can I buy Ethyl (1,1'-biphenyl)-4-carboxylate?
You can request a quote for Ethyl (1,1'-biphenyl)-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (1,1'-biphenyl)-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (1,1'-biphenyl)-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.