![3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile structure](/static/products/861/861209-28-1.png)
3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
TL;DR: 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 861209-28-1) is a chemical compound with molecular formula C26H26N2S and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 2T-0269, 3-{[(4-tert-butylphenyl)methyl]sulfanyl}-1-phenyl-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile, 3-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-{4-(tert-Butyl)benzylsulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopentacpyridine-4-carbonitrile
| Molecular Formula | C26H26N2S |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 6.69878 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.18167 |
| Heavy Atoms | 29 |
| Complexity | 1055.093 |
Chemical Identifiers
| CAS Number | 861209-28-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C3=C(CCC3)C(=N2)C4=CC=CC=C4)C#N |
Product Overview
3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 861209-28-1), with molecular formula C26H26N2S and molecular weight 398.18 g/mol. IUPAC: 3-[(4-tert-butylphenyl)methylsulfanyl]-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Property Insights of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
The XLogP value of 6.69878 indicates that 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-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, 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The CAS number of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is 861209-28-1.
What is the molecular formula of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The molecular formula of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is C26H26N2S.
What is the molecular weight of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The molecular weight of 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is 398.18 g/mol.
Where can I buy 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
You can request a quote for 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(tert-butyl)benzyl]sulfanyl}-1-phenyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.