Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-
TL;DR: Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis- (CAS 4281-16-7) is a chemical compound with molecular formula C16H12O5 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2-carboxyphenyl)-2-oxoethyl]benzoic acid
Also Known As: phenylpyruvic, 2,2'-acetyldibenzoic acid, 2,2'-dicarboxydeoxybenzoin, Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-, 2,2'-(1-oxoethane-1,2-diyl)dibenzoic acid
| Molecular Formula | C16H12O5 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.06848 |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 4281-16-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)C2=CC=CC=C2C(=O)O)C(=O)O |
| InChIKey | YPNGOYFSQMSAOZ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis- (CAS 4281-16-7), with molecular formula C16H12O5 and molecular weight 284.07 g/mol. IUPAC: 2-[2-(2-carboxyphenyl)-2-oxoethyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-
Property Insights of Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-. Following Lipinski's Rule of Five, Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis- has 2 hydrogen bond donor(s) and 5 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, 2,2'-(1-oxo-1,2-ethanediyl)bis-?
The CAS number of Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis- is 4281-16-7.
What is the molecular formula of Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-?
The molecular formula of Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis- is C16H12O5.
What is the molecular weight of Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-?
The molecular weight of Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis- is 284.07 g/mol.
Where can I buy Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-?
You can request a quote for Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,2'-(1-oxo-1,2-ethanediyl)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.