7-(4-Fluorophenyl)-4,7-dioxoheptanoate
TL;DR: 7-(4-Fluorophenyl)-4,7-dioxoheptanoate (CAS 1566-06-9) is a chemical compound with molecular formula C13H12FO4- and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-fluorophenyl)-4,7-dioxoheptanoate
Also Known As: 7-(4-fluorophenyl)-4,7-dioxoheptanoate, 7-(4-Fluoro-phenyl)-4,7-dioxo-heptanoicacid
| Molecular Formula | C13H12FO4- |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 0.8878 |
| Topological Polar Surface Area | 74.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.07196 |
| Heavy Atoms | 18 |
| Complexity | 450.56396 |
Chemical Identifiers
| CAS Number | 1566-06-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCC(=O)CCC(=O)[O-])F |
Product Overview
7-(4-Fluorophenyl)-4,7-dioxoheptanoate (CAS 1566-06-9), with molecular formula C13H12FO4- and molecular weight 251.07 g/mol. IUPAC: 7-(4-fluorophenyl)-4,7-dioxoheptanoate.
Chemical Property Profile of 7-(4-Fluorophenyl)-4,7-dioxoheptanoate
Property Insights of 7-(4-Fluorophenyl)-4,7-dioxoheptanoate
The XLogP value of 0.8878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-Fluorophenyl)-4,7-dioxoheptanoate. The TPSA of 74.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Fluorophenyl)-4,7-dioxoheptanoate. Following Lipinski's Rule of Five, 7-(4-Fluorophenyl)-4,7-dioxoheptanoate has 0 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 7-(4-Fluorophenyl)-4,7-dioxoheptanoate?
The CAS number of 7-(4-Fluorophenyl)-4,7-dioxoheptanoate is 1566-06-9.
What is the molecular formula of 7-(4-Fluorophenyl)-4,7-dioxoheptanoate?
The molecular formula of 7-(4-Fluorophenyl)-4,7-dioxoheptanoate is C13H12FO4-.
What is the molecular weight of 7-(4-Fluorophenyl)-4,7-dioxoheptanoate?
The molecular weight of 7-(4-Fluorophenyl)-4,7-dioxoheptanoate is 251.07 g/mol.
Where can I buy 7-(4-Fluorophenyl)-4,7-dioxoheptanoate?
You can request a quote for 7-(4-Fluorophenyl)-4,7-dioxoheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-Fluorophenyl)-4,7-dioxoheptanoate?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-Fluorophenyl)-4,7-dioxoheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.