![4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile structure](/static/products/6944/694463-05-3.webp)
4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
TL;DR: 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 694463-05-3) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxyphenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 4-(4-hydroxyphenyl)-2-(methylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-methylsulfanyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C16H14N2OS |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.53648 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.08267 |
| Heavy Atoms | 20 |
| Complexity | 701.8973 |
Chemical Identifiers
| CAS Number | 694463-05-3 |
|---|---|
| SMILES | CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=C(C=C3)O |
Product Overview
4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 694463-05-3), with molecular formula C16H14N2OS and molecular weight 282.08 g/mol. IUPAC: 4-(4-hydroxyphenyl)-2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Property Insights of 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
The XLogP value of 3.53648 indicates that 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.91 Ų, 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The CAS number of 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 694463-05-3.
What is the molecular formula of 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular formula of 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is C16H14N2OS.
What is the molecular weight of 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular weight of 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 282.08 g/mol.
Where can I buy 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
You can request a quote for 4-(4-hydroxyphenyl)-2-(methylthio)-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 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-hydroxyphenyl)-2-(methylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.