![ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate structure](/static/products/340/340813-59-4.png)
ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate
TL;DR: ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate (CAS 340813-59-4) is a chemical compound with molecular formula C20H19ClN2O2S and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]propanoate
Also Known As: ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate, ethyl 2-((4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)propanoate, ethyl 2-[[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]propanoate, ethyl 2-[4-(4-chlorophenyl)-3-cyano-5,6,7-trihydrocyclopenta[1,2-e]pyridin-2-y lthio]propanoate, ETHYL 2-{[4-(4-CHLOROPHENYL)-3-CYANO-5H,6H,7H-CYCLOPENTA[B]PYRIDIN-2-YL]SULFANYL}PROPANOATE
| Molecular Formula | C20H19ClN2O2S |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 4.80608 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.08557 |
| Heavy Atoms | 26 |
| Complexity | 874.8604 |
Chemical Identifiers
| CAS Number | 340813-59-4 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NC2=C(CCC2)C(=C1C#N)C3=CC=C(C=C3)Cl |
Product Overview
ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate (CAS 340813-59-4), with molecular formula C20H19ClN2O2S and molecular weight 386.09 g/mol. IUPAC: ethyl 2-[[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]propanoate.
Chemical Property Profile of ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate
Property Insights of ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate
The XLogP value of 4.80608 indicates that ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate. Following Lipinski's Rule of Five, ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate 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 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate?
The CAS number of ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate is 340813-59-4.
What is the molecular formula of ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate?
The molecular formula of ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate is C20H19ClN2O2S.
What is the molecular weight of ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate?
The molecular weight of ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate is 386.09 g/mol.
Where can I buy ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate?
You can request a quote for ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[4-(4-chlorophenyl)-3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.