![4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile structure](/static/products/1205/120517-49-9.webp)
4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile
TL;DR: 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile (CAS 120517-49-9) is a chemical compound with molecular formula C16H14N2OS and molecular weight 282.08267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-methoxyphenyl)-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
Also Known As: 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile, 4-(4-methoxyphenyl)-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile, 4-(4-Methoxy-phenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-[1]pyrindine-3-carbonitrile, 4-(4-methoxyphenyl)-2-sulfanyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile, 4-(4-methoxyphenyl)-2-thioxo-1,5,6,7-tetrahydro-1-pyrindine-3-carbonitrile
Technical Specifications
| Molecular Formula | C16H14N2OS |
| Molecular Weight | 282.08267 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.08267 Da |
| Heavy Atoms | 20 |
| Complexity | 544.0 |
| SMILES | COC1=CC=C(C=C1)C2=C(C(=S)NC3=C2CCC3)C#N |
| InChIKey | IVCIQZKVLKGZAG-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile
Property Insights of 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile?
The CAS number of 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile is 120517-49-9.
What is the molecular formula of 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular formula of 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile is C16H14N2OS.
What is the molecular weight of 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular weight of 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile is 282.08267 g/mol.
Where can I buy 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile?
You can request a quote for 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(4-methoxyphenyl)-2-thioxo-2,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.