Bis(phenacyl)acetic acid
TL;DR: Bis(phenacyl)acetic acid (CAS 77953-17-4) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2-phenacyl-4-phenylbutanoic acid
Also Known As: diphenacylacetic acid, 4-oxo-2-(2-oxo-2-phenylethyl)-4-phenylbutanoic acid, Bis(phenacyl)acetic acid, 4-oxo-2-phenacyl-4-phenylbutanoic acid, 4-oxo-2-phenacyl-4-phenyl-butanoic acid
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 77953-17-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(CC(=O)C2=CC=CC=C2)C(=O)O |
| InChIKey | YSXGPYZKEDCAMT-UHFFFAOYSA-N |
Product Overview
Bis(phenacyl)acetic acid (CAS 77953-17-4), with molecular formula C18H16O4 and molecular weight 296.10 g/mol. IUPAC: 4-oxo-2-phenacyl-4-phenylbutanoic acid.
Chemical Property Profile of Bis(phenacyl)acetic acid
Property Insights of Bis(phenacyl)acetic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(phenacyl)acetic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(phenacyl)acetic acid. Following Lipinski's Rule of Five, Bis(phenacyl)acetic acid has 1 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 Bis(phenacyl)acetic acid?
The CAS number of Bis(phenacyl)acetic acid is 77953-17-4.
What is the molecular formula of Bis(phenacyl)acetic acid?
The molecular formula of Bis(phenacyl)acetic acid is C18H16O4.
What is the molecular weight of Bis(phenacyl)acetic acid?
The molecular weight of Bis(phenacyl)acetic acid is 296.10 g/mol.
Where can I buy Bis(phenacyl)acetic acid?
You can request a quote for Bis(phenacyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(phenacyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Bis(phenacyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.