![4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid structure](/static/products/6266/62665-53-6.webp)
4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid
TL;DR: 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid (CAS 62665-53-6) is a chemical compound with molecular formula C17H16FNO3 and molecular weight 301.11 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]butanoic acid
Also Known As: 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid, Butanoic acid,4-[[(5-fluoro-2-hydroxyphenyl)phenylmethylene]amino], Butanoic acid, 4-[[(5-fluoro-2-hydroxyphenyl)phenylmethylene]amino]-, 4-[[(3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]butanoic acid, 4-[[(Z)-(3-fluoro-6-oxo-1-cyclohexa-2,4-dienylidene)-phenyl-methyl]amino]butanoic Acid
| Molecular Formula | C17H16FNO3 |
|---|---|
| Molecular Weight | 301.11 g/mol |
| LogP | 3.2335 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.11142 |
| Heavy Atoms | 22 |
| Complexity | 683.55835 |
Chemical Identifiers
| CAS Number | 62665-53-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=NCCCC(=O)O)C2=C(C=CC(=C2)F)O |
Product Overview
4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid (CAS 62665-53-6), with molecular formula C17H16FNO3 and molecular weight 301.11 g/mol. IUPAC: 4-[[(5-fluoro-2-hydroxyphenyl)-phenylmethylidene]amino]butanoic acid.
Chemical Property Profile of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid
Property Insights of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid
The XLogP value of 3.2335 indicates that 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic 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}butanoic acid. Following Lipinski's Rule of Five, 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic 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}butanoic acid?
The CAS number of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid is 62665-53-6.
What is the molecular formula of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid?
The molecular formula of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid is C17H16FNO3.
What is the molecular weight of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid?
The molecular weight of 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid is 301.11 g/mol.
Where can I buy 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid?
You can request a quote for 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic 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}butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-Fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)(phenyl)methyl]amino}butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.