4,4'-(Ethane-1,2-diyl)dibenzoic acid
TL;DR: 4,4'-(Ethane-1,2-diyl)dibenzoic acid (CAS 793-07-7) is a chemical compound with molecular formula C16H14O4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-carboxyphenyl)ethyl]benzoic acid
Also Known As: 4,4'-(Ethane-1,2-diyl)dibenzoic acid, 4,4'-bibenzyldicarboxylic, 4-[2-(4-carboxyphenyl)ethyl]benzoic acid, Benzoic acid,4,4'-(1,2-ethanediyl)bis-, bibenzyl-4,4'-dicarboxylic acid
| Molecular Formula | C16H14O4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.0892 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 793-07-7 |
|---|---|
| SMILES | C1=CC(=CC=C1CCC2=CC=C(C=C2)C(=O)O)C(=O)O |
| InChIKey | HCUNREWMFYCWAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-(Ethane-1,2-diyl)dibenzoic acid (CAS 793-07-7), with molecular formula C16H14O4 and molecular weight 270.09 g/mol. IUPAC: 4-[2-(4-carboxyphenyl)ethyl]benzoic acid.
Chemical Property Profile of 4,4'-(Ethane-1,2-diyl)dibenzoic acid
Property Insights of 4,4'-(Ethane-1,2-diyl)dibenzoic acid
The XLogP value of 3.2 indicates that 4,4'-(Ethane-1,2-diyl)dibenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-(Ethane-1,2-diyl)dibenzoic acid. Following Lipinski's Rule of Five, 4,4'-(Ethane-1,2-diyl)dibenzoic acid has 2 hydrogen bond donor(s) and 4 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 4,4'-(Ethane-1,2-diyl)dibenzoic acid?
The CAS number of 4,4'-(Ethane-1,2-diyl)dibenzoic acid is 793-07-7.
What is the molecular formula of 4,4'-(Ethane-1,2-diyl)dibenzoic acid?
The molecular formula of 4,4'-(Ethane-1,2-diyl)dibenzoic acid is C16H14O4.
What is the molecular weight of 4,4'-(Ethane-1,2-diyl)dibenzoic acid?
The molecular weight of 4,4'-(Ethane-1,2-diyl)dibenzoic acid is 270.09 g/mol.
Where can I buy 4,4'-(Ethane-1,2-diyl)dibenzoic acid?
You can request a quote for 4,4'-(Ethane-1,2-diyl)dibenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-(Ethane-1,2-diyl)dibenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-(Ethane-1,2-diyl)dibenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.