![2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile structure](/static/products/3122/312272-57-4.webp)
2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
TL;DR: 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 312272-57-4) is a chemical compound with molecular formula C16H13FN2S and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: AB00078923-01, A1135/0053062, 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-((2-fluorobenzyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C16H13FN2S |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 62.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.07834 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 312272-57-4 |
|---|---|
| SMILES | C1CC2=CC(=C(N=C2C1)SCC3=CC=CC=C3F)C#N |
| InChIKey | BINBNWBWZODGCC-UHFFFAOYSA-N |
Product Overview
2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 312272-57-4), with molecular formula C16H13FN2S and molecular weight 284.08 g/mol. IUPAC: 2-[(2-fluorophenyl)methylsulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Property Insights of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
The XLogP value of 3.7 indicates that 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has 0 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 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The CAS number of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 312272-57-4.
What is the molecular formula of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular formula of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is C16H13FN2S.
What is the molecular weight of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular weight of 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 284.08 g/mol.
Where can I buy 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
You can request a quote for 2-[(2-fluorobenzyl)sulfanyl]-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-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-fluorobenzyl)sulfanyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.