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2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
TL;DR: 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 713099-49-1) is a chemical compound with molecular formula C22H18N2OS and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-(benzylthio)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-benzylsulfanyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C22H18N2OS |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 5.10688 |
| Topological Polar Surface Area | 56.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.11398 |
| Heavy Atoms | 26 |
| Complexity | 975.76434 |
Chemical Identifiers
| CAS Number | 713099-49-1 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C3=CC=C(C=C3)O)C#N)SCC4=CC=CC=C4 |
Product Overview
2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 713099-49-1), with molecular formula C22H18N2OS and molecular weight 358.11 g/mol. IUPAC: 2-benzylsulfanyl-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Property Insights of 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
The XLogP value of 5.10688 indicates that 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-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, 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-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, 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The CAS number of 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 713099-49-1.
What is the molecular formula of 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular formula of 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is C22H18N2OS.
What is the molecular weight of 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular weight of 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 358.11 g/mol.
Where can I buy 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
You can request a quote for 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-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-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-4-(4-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.