![3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile structure](/static/products/4449/444932-02-9.webp)
3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
TL;DR: 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 444932-02-9) is a chemical compound with molecular formula C18H15F3N2S and molecular weight 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-methylphenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Also Known As: 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-[(3-methylphenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile, 3-{[(3-METHYLPHENYL)METHYL]SULFANYL}-1-(TRIFLUOROMETHYL)-5H,6H,7H-CYCLOPENTA[C]PYRIDINE-4-CARBONITRILE
| Molecular Formula | C18H15F3N2S |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 5.0615 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.0908 |
| Heavy Atoms | 24 |
| Complexity | 822.2343 |
Chemical Identifiers
| CAS Number | 444932-02-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)CSC2=C(C3=C(CCC3)C(=N2)C(F)(F)F)C#N |
Product Overview
3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CAS 444932-02-9), with molecular formula C18H15F3N2S and molecular weight 348.09 g/mol. IUPAC: 3-[(3-methylphenyl)methylsulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
Chemical Property Profile of 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
Property Insights of 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
The XLogP value of 5.0615 indicates that 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-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-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-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-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-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-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The CAS number of 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is 444932-02-9.
What is the molecular formula of 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The molecular formula of 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is C18H15F3N2S.
What is the molecular weight of 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The molecular weight of 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is 348.09 g/mol.
Where can I buy 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
You can request a quote for 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-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-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-methylbenzyl)sulfanyl]-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.