![4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile structure](/static/products/2132/213203-86-2.webp)
4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
TL;DR: 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 213203-86-2) is a chemical compound with molecular formula C11H12N2S and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
Also Known As: 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile, NCI60_037736, 4-ethyl-2-sulfanyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile, AB00080482-01, AE-848/11419472
| Molecular Formula | C11H12N2S |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 2.66697 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07211 |
| Heavy Atoms | 14 |
| Complexity | 465.4015 |
Chemical Identifiers
| CAS Number | 213203-86-2 |
|---|---|
| SMILES | CCC1=C(C(=S)NC2=C1CCC2)C#N |
Product Overview
4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CAS 213203-86-2), with molecular formula C11H12N2S and molecular weight 204.07 g/mol. IUPAC: 4-ethyl-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
Property Insights of 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
The XLogP value of 2.66697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 39.58 Ų, 4-Ethyl-2-mercapto-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, 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The CAS number of 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 213203-86-2.
What is the molecular formula of 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular formula of 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is C11H12N2S.
What is the molecular weight of 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The molecular weight of 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is 204.07 g/mol.
Where can I buy 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
You can request a quote for 4-Ethyl-2-mercapto-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 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-2-mercapto-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.