2,4-Dioxo-6-phenylhexanoic acid
TL;DR: 2,4-Dioxo-6-phenylhexanoic acid (CAS 64165-16-8) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxo-6-phenylhexanoic acid
Also Known As: 2,4-dioxo-6-phenylhexanoic acid, 2,4-Dioxo-6-phenylhexanoicacid, 2,4-Dioxo-6-phenyl-hexanoic acid, 2-hydroxy-4-oxo-6-phenylhex-2-enoic acid
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 64165-16-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)CC(=O)C(=O)O |
| InChIKey | IIISQTZDBAGFRK-UHFFFAOYSA-N |
Product Overview
2,4-Dioxo-6-phenylhexanoic acid (CAS 64165-16-8), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 2,4-dioxo-6-phenylhexanoic acid.
Chemical Property Profile of 2,4-Dioxo-6-phenylhexanoic acid
Property Insights of 2,4-Dioxo-6-phenylhexanoic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dioxo-6-phenylhexanoic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dioxo-6-phenylhexanoic acid. Following Lipinski's Rule of Five, 2,4-Dioxo-6-phenylhexanoic 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 2,4-Dioxo-6-phenylhexanoic acid?
The CAS number of 2,4-Dioxo-6-phenylhexanoic acid is 64165-16-8.
What is the molecular formula of 2,4-Dioxo-6-phenylhexanoic acid?
The molecular formula of 2,4-Dioxo-6-phenylhexanoic acid is C12H12O4.
What is the molecular weight of 2,4-Dioxo-6-phenylhexanoic acid?
The molecular weight of 2,4-Dioxo-6-phenylhexanoic acid is 220.07 g/mol.
Where can I buy 2,4-Dioxo-6-phenylhexanoic acid?
You can request a quote for 2,4-Dioxo-6-phenylhexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dioxo-6-phenylhexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dioxo-6-phenylhexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.