Benzoic acid, 4-benzoyl-, ion(1-)
TL;DR: Benzoic acid, 4-benzoyl-, ion(1-) (CAS 66521-34-4) is a chemical compound with molecular formula C14H9O3- and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzoylbenzoate
Also Known As: 4-benzoylbenzoate, 4-Benzoylbenzoic acid, benzophenone-4-carboxylate, Benzoic acid,4-benzoyl-, 4-Benzoylbenzoic acidanion
| Molecular Formula | C14H9O3- |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.05518 |
| Heavy Atoms | 17 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 66521-34-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)[O-] |
| InChIKey | IFQUPKAISSPFTE-UHFFFAOYSA-M |
Product Overview
Benzoic acid, 4-benzoyl-, ion(1-) (CAS 66521-34-4), with molecular formula C14H9O3- and molecular weight 225.06 g/mol. IUPAC: 4-benzoylbenzoate.
Chemical Property Profile of Benzoic acid, 4-benzoyl-, ion(1-)
Property Insights of Benzoic acid, 4-benzoyl-, ion(1-)
The XLogP value of 3.6 indicates that Benzoic acid, 4-benzoyl-, ion(1-) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, Benzoic acid, 4-benzoyl-, ion(1-) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-benzoyl-, ion(1-) has 0 hydrogen bond donor(s) and 3 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 Benzoic acid, 4-benzoyl-, ion(1-)?
The CAS number of Benzoic acid, 4-benzoyl-, ion(1-) is 66521-34-4.
What is the molecular formula of Benzoic acid, 4-benzoyl-, ion(1-)?
The molecular formula of Benzoic acid, 4-benzoyl-, ion(1-) is C14H9O3-.
What is the molecular weight of Benzoic acid, 4-benzoyl-, ion(1-)?
The molecular weight of Benzoic acid, 4-benzoyl-, ion(1-) is 225.06 g/mol.
Where can I buy Benzoic acid, 4-benzoyl-, ion(1-)?
You can request a quote for Benzoic acid, 4-benzoyl-, ion(1-) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-benzoyl-, ion(1-)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-benzoyl-, ion(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.