![4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid structure](/static/products/6971/6971-52-4.webp)
4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid
TL;DR: 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid (CAS 6971-52-4) is a chemical compound with molecular formula C17H22O5 and molecular weight 306.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(5-ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid
Also Known As: 3-Methoxy-2-methylphenol, 4-[4-(5-ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid, 4-[4-(4-ETHOXYCARBONYLBUTYL)PHENYL]-4-OXO-BUTANOIC ACID, Benzenepentanoic acid,4-(3-carboxy-1-oxopropyl)-, 1-ethyl ester
| Molecular Formula | C17H22O5 |
|---|---|
| Molecular Weight | 306.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 306.14673 |
| Heavy Atoms | 22 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 6971-52-4 |
|---|---|
| SMILES | CCOC(=O)CCCCC1=CC=C(C=C1)C(=O)CCC(=O)O |
| InChIKey | ANWOGFBOBACIPB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid (CAS 6971-52-4), with molecular formula C17H22O5 and molecular weight 306.15 g/mol. IUPAC: 4-[4-(5-ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid.
Chemical Property Profile of 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid
Property Insights of 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid has 1 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 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid?
The CAS number of 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid is 6971-52-4.
What is the molecular formula of 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid?
The molecular formula of 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid is C17H22O5.
What is the molecular weight of 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid?
The molecular weight of 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid is 306.15 g/mol.
Where can I buy 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid?
You can request a quote for 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(5-Ethoxy-5-oxopentyl)phenyl]-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.