![2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile structure](/static/products/328/328072-53-3.png)
2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
TL;DR: 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 328072-53-3) is a chemical compound with molecular formula C19H18N2OS and molecular weight 322.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Also Known As: 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, 2-{[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
| Molecular Formula | C19H18N2OS |
|---|---|
| Molecular Weight | 322.11 g/mol |
| LogP | 4.03382 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.11398 |
| Heavy Atoms | 23 |
| Complexity | 820.8498 |
Chemical Identifiers
| CAS Number | 328072-53-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)CSC2=C(C=C3CCCC3=N2)C#N)C |
Product Overview
2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 328072-53-3), with molecular formula C19H18N2OS and molecular weight 322.11 g/mol. IUPAC: 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Property Insights of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
The XLogP value of 4.03382 indicates that 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-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 53.75 Ų, 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-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-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-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-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The CAS number of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 328072-53-3.
What is the molecular formula of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular formula of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is C19H18N2OS.
What is the molecular weight of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular weight of 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 322.11 g/mol.
Where can I buy 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
You can request a quote for 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-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-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(2,4-dimethylphenyl)-2-oxoethyl)thio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.