F1391-0060
TL;DR: F1391-0060 (CAS 865546-80-1) is a chemical compound with molecular formula C26H18N2O4S and molecular weight 454.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxyphenyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: F1391-0060, 4-(4-hydroxyphenyl)-2-{[2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl]sulfanyl}-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile, 4-(4-hydroxyphenyl)-2-((2-oxo-2-(2-oxo-2H-chromen-3-yl)ethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 4-(4-hydroxyphenyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 4-(4-oxocyclohexa-2,5-dien-1-ylidene)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C26H18N2O4S |
|---|---|
| Molecular Weight | 454.10 g/mol |
| LogP | 4.89598 |
| Topological Polar Surface Area | 104.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.09872 |
| Heavy Atoms | 33 |
| Complexity | 1500.244 |
Chemical Identifiers
| CAS Number | 865546-80-1 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C3=CC=C(C=C3)O)C#N)SCC(=O)C4=CC5=CC=CC=C5OC4=O |
Product Overview
F1391-0060 (CAS 865546-80-1), with molecular formula C26H18N2O4S and molecular weight 454.10 g/mol. IUPAC: 4-(4-hydroxyphenyl)-2-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of F1391-0060
Property Insights of F1391-0060
The XLogP value of 4.89598 indicates that F1391-0060 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.19 Ų falls within the moderate polarity range, balancing permeability and solubility for F1391-0060. Following Lipinski's Rule of Five, F1391-0060 has 1 hydrogen bond donor(s) and 7 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 F1391-0060?
The CAS number of F1391-0060 is 865546-80-1.
What is the molecular formula of F1391-0060?
The molecular formula of F1391-0060 is C26H18N2O4S.
What is the molecular weight of F1391-0060?
The molecular weight of F1391-0060 is 454.10 g/mol.
Where can I buy F1391-0060?
You can request a quote for F1391-0060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1391-0060?
Yes, KEHONG BIO provides custom synthesis services for F1391-0060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.