![2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile structure](/static/products/328/328285-98-9.png)
2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
TL;DR: 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 328285-98-9) is a chemical compound with molecular formula C24H24N2S2 and molecular weight 404.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-tert-butylphenyl)methylsulfanyl]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[(4-tert-butylbenzyl)sulfanyl]-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[(4-tert-butylphenyl)methylsulfanyl]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-{[4-(TERT-BUTYL)BENZYL]SULFANYL}-4-(2-THIENYL)-6,7-DIHYDRO-5H-CYCLOPENTA[B]PYRIDIN-3-YL CYANIDE, 2-{[4-(tert-butyl)phenyl]methylthio}-4-(2-thienyl)-5,6,7-trihydrocyclopenta[1, 2-b]pyridine-3-carbonitrile
| Molecular Formula | C24H24N2S2 |
|---|---|
| Molecular Weight | 404.14 g/mol |
| LogP | 6.76028 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1381 |
| Heavy Atoms | 28 |
| Complexity | 1020.4476 |
Chemical Identifiers
| CAS Number | 328285-98-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(CCC3)C(=C2C#N)C4=CC=CS4 |
Product Overview
2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 328285-98-9), with molecular formula C24H24N2S2 and molecular weight 404.14 g/mol. IUPAC: 2-[(4-tert-butylphenyl)methylsulfanyl]-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Property Insights of 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
The XLogP value of 6.76028 indicates that 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-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 36.68 Ų, 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-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-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has 0 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-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The CAS number of 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 328285-98-9.
What is the molecular formula of 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular formula of 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is C24H24N2S2.
What is the molecular weight of 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular weight of 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 404.14 g/mol.
Where can I buy 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
You can request a quote for 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-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-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(tert-butyl)benzyl)thio)-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.