![(E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate structure](/static/products/330/330180-28-4.png)
(E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate
TL;DR: (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate (CAS 330180-28-4) is a chemical compound with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(7E)-3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate
Also Known As: (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate, ethyl {[(7E)-3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylidene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate, ethyl 2-[[(7E)-3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate
| Molecular Formula | C22H18N2O4S |
|---|---|
| Molecular Weight | 406.10 g/mol |
| LogP | 4.94828 |
| Topological Polar Surface Area | 89.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.09872 |
| Heavy Atoms | 29 |
| Complexity | 1093.0334 |
Chemical Identifiers
| CAS Number | 330180-28-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(=C2CC/C(=C\C3=CC=CO3)/C2=N1)C4=CC=CO4)C#N |
Product Overview
(E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate (CAS 330180-28-4), with molecular formula C22H18N2O4S and molecular weight 406.10 g/mol. IUPAC: ethyl 2-[[(7E)-3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate
Property Insights of (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate
The XLogP value of 4.94828 indicates that (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 7 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 (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate?
The CAS number of (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate is 330180-28-4.
What is the molecular formula of (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate?
The molecular formula of (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate is C22H18N2O4S.
What is the molecular weight of (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate?
The molecular weight of (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate is 406.10 g/mol.
Where can I buy (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate?
You can request a quote for (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-((3-cyano-4-(furan-2-yl)-7-(furan-2-ylmethylene)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.