4,7-Dioxo-7-p-tolyl-heptanoic acid
TL;DR: 4,7-Dioxo-7-p-tolyl-heptanoic acid (CAS 522663-97-4) is a chemical compound with molecular formula C14H16O4 and molecular weight 248.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methylphenyl)-4,7-dioxoheptanoic acid
Also Known As: 4,7-Dioxo-7-p-tolyl-heptanoic acid, 4,7-Dioxo-7-(p-tolyl)heptanoic acid, 7-(4-methylphenyl)-4,7-dioxoheptanoic acid, 4,7-Dioxo-7-p-tolyl-heptansaeure, 4,7-Dioxo-7-(p-tolyl)heptanoicacid
| Molecular Formula | C14H16O4 |
|---|---|
| Molecular Weight | 248.10 g/mol |
| LogP | 2.39182 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.10486 |
| Heavy Atoms | 18 |
| Complexity | 445.36673 |
Chemical Identifiers
| CAS Number | 522663-97-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CCC(=O)CCC(=O)O |
Product Overview
4,7-Dioxo-7-p-tolyl-heptanoic acid (CAS 522663-97-4), with molecular formula C14H16O4 and molecular weight 248.10 g/mol. IUPAC: 7-(4-methylphenyl)-4,7-dioxoheptanoic acid.
Chemical Property Profile of 4,7-Dioxo-7-p-tolyl-heptanoic acid
Property Insights of 4,7-Dioxo-7-p-tolyl-heptanoic acid
The XLogP value of 2.39182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Dioxo-7-p-tolyl-heptanoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Dioxo-7-p-tolyl-heptanoic acid. Following Lipinski's Rule of Five, 4,7-Dioxo-7-p-tolyl-heptanoic acid has 1 hydrogen bond donor(s) and 3 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 4,7-Dioxo-7-p-tolyl-heptanoic acid?
The CAS number of 4,7-Dioxo-7-p-tolyl-heptanoic acid is 522663-97-4.
What is the molecular formula of 4,7-Dioxo-7-p-tolyl-heptanoic acid?
The molecular formula of 4,7-Dioxo-7-p-tolyl-heptanoic acid is C14H16O4.
What is the molecular weight of 4,7-Dioxo-7-p-tolyl-heptanoic acid?
The molecular weight of 4,7-Dioxo-7-p-tolyl-heptanoic acid is 248.10 g/mol.
Where can I buy 4,7-Dioxo-7-p-tolyl-heptanoic acid?
You can request a quote for 4,7-Dioxo-7-p-tolyl-heptanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Dioxo-7-p-tolyl-heptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Dioxo-7-p-tolyl-heptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.