Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis-
TL;DR: Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis- (CAS 5928-22-3) is a chemical compound with molecular formula C17H14O5 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(2-carboxyphenyl)-2-oxopropyl]benzoic acid
Also Known As: 2-carboxybenzyl ketone, Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis-, 2,2'-(2-Oxo-1,3-propanediyl)bisbenzoic acid, Acide (carboxy-2-phenacetyl)-alpha ortho-toluique, Benzoic aicd, 2,2'-(2-oxotrimethylene)di-
| Molecular Formula | C17H14O5 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 91.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.08414 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 5928-22-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)CC2=CC=CC=C2C(=O)O)C(=O)O |
| InChIKey | RWXNSBQYDPROMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis- (CAS 5928-22-3), with molecular formula C17H14O5 and molecular weight 298.08 g/mol. IUPAC: 2-[3-(2-carboxyphenyl)-2-oxopropyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis-
Property Insights of Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis-. The TPSA of 91.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis-. Following Lipinski's Rule of Five, Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)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'-(2-oxo-1,3-propanediyl)bis-?
The CAS number of Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis- is 5928-22-3.
What is the molecular formula of Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis-?
The molecular formula of Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis- is C17H14O5.
What is the molecular weight of Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis-?
The molecular weight of Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis- is 298.08 g/mol.
Where can I buy Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis-?
You can request a quote for Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)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'-(2-oxo-1,3-propanediyl)bis-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2,2'-(2-oxo-1,3-propanediyl)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.