![Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate structure](/static/products/166/166113-76-4.png)
Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
TL;DR: Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate (CAS 166113-76-4) is a chemical compound with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Also Known As: Cyclopenta[b]pyridine, 3-cyano-2-ethoxycarbonylmethylthio-, Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate, ethyl 2-((3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate, ethyl 2-(3-cyano-5,6,7-trihydrocyclopenta[2,1-e]pyridin-2-ylthio)acetate, Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate #
| Molecular Formula | C13H14N2O2S |
|---|---|
| Molecular Weight | 262.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 262.0776 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 166113-76-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C=C2CCCC2=N1)C#N |
| InChIKey | WEGXSDWVVYKADR-UHFFFAOYSA-N |
Product Overview
Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate (CAS 166113-76-4), with molecular formula C13H14N2O2S and molecular weight 262.08 g/mol. IUPAC: ethyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Property Insights of Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 5 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 Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate?
The CAS number of Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate is 166113-76-4.
What is the molecular formula of Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate?
The molecular formula of Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate is C13H14N2O2S.
What is the molecular weight of Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate?
The molecular weight of Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate is 262.08 g/mol.
Where can I buy Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate?
You can request a quote for Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.