![2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile structure](/static/products/497/497246-76-1.png)
2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
TL;DR: 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 497246-76-1) is a chemical compound with molecular formula C24H20N2O4S and molecular weight 432.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C24H20N2O4S |
|---|---|
| Molecular Weight | 432.11 g/mol |
| LogP | 4.50378 |
| Topological Polar Surface Area | 103.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.11438 |
| Heavy Atoms | 31 |
| Complexity | 1199.6816 |
Chemical Identifiers
| CAS Number | 497246-76-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=NC3=C2CCC3)SCC(=O)C4=CC(=C(C=C4)O)O)C#N |
Product Overview
2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 497246-76-1), with molecular formula C24H20N2O4S and molecular weight 432.11 g/mol. IUPAC: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Property Insights of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
The XLogP value of 4.50378 indicates that 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has 2 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 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The CAS number of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 497246-76-1.
What is the molecular formula of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular formula of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is C24H20N2O4S.
What is the molecular weight of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular weight of 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 432.11 g/mol.
Where can I buy 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
You can request a quote for 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(3,4-dihydroxyphenyl)-2-oxoethyl)thio)-4-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.