![4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid structure](/static/products/6266/62666-32-4.webp)
4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid
TL;DR: 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid (CAS 62666-32-4) is a chemical compound with molecular formula C20H22FNO3 and molecular weight 343.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]heptanoic acid
Also Known As: 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid, Heptanoic acid, 4-[[(5-fluoro-2-hydroxyphenyl)phenylmethylene]amino]-, 4-[[(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]heptanoic acid, 4-[[(Z)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-phenyl-methyl]amino]heptanoic Acid, 4-[[(Z)-(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]heptanoic acid
| Molecular Formula | C20H22FNO3 |
|---|---|
| Molecular Weight | 343.16 g/mol |
| LogP | 4.4022 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.1584 |
| Heavy Atoms | 25 |
| Complexity | 743.8614 |
Chemical Identifiers
| CAS Number | 62666-32-4 |
|---|---|
| SMILES | CCCC(CCC(=O)O)N=C(C1=CC=CC=C1)C2=C(C=CC(=C2)F)O |
Product Overview
4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid (CAS 62666-32-4), with molecular formula C20H22FNO3 and molecular weight 343.16 g/mol. IUPAC: 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]heptanoic acid.
Chemical Property Profile of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid
Property Insights of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid
The XLogP value of 4.4022 indicates that 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid. Following Lipinski's Rule of Five, 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid has 2 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-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid?
The CAS number of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid is 62666-32-4.
What is the molecular formula of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid?
The molecular formula of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid is C20H22FNO3.
What is the molecular weight of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid?
The molecular weight of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid is 343.16 g/mol.
Where can I buy 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid?
You can request a quote for 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}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-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}heptanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.