![(E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate structure](/static/products/402/402953-84-8.png)
(E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate
TL;DR: (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate (CAS 402953-84-8) is a chemical compound with molecular formula C23H18N2O2S2 and molecular weight 418.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(7E)-7-benzylidene-3-cyano-4-thiophen-3-yl-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate
Also Known As: (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate, F0894-0116, methyl 2-{[(7E)-3-cyano-7-(phenylmethylidene)-4-(thiophen-3-yl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate, methyl 2-[[(7E)-7-benzylidene-3-cyano-4-thiophen-3-yl-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate, methyl {[(7E)-7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C23H18N2O2S2 |
|---|---|
| Molecular Weight | 418.08 g/mol |
| LogP | 5.43368 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.08096 |
| Heavy Atoms | 29 |
| Complexity | 1114.0248 |
Chemical Identifiers
| CAS Number | 402953-84-8 |
|---|---|
| SMILES | COC(=O)CSC1=C(C(=C2CC/C(=C\C3=CC=CC=C3)/C2=N1)C4=CSC=C4)C#N |
Product Overview
(E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate (CAS 402953-84-8), with molecular formula C23H18N2O2S2 and molecular weight 418.08 g/mol. IUPAC: methyl 2-[[(7E)-7-benzylidene-3-cyano-4-thiophen-3-yl-5,6-dihydrocyclopenta[b]pyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate
Property Insights of (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate
The XLogP value of 5.43368 indicates that (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-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 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate?
The CAS number of (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate is 402953-84-8.
What is the molecular formula of (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate?
The molecular formula of (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate is C23H18N2O2S2.
What is the molecular weight of (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate?
The molecular weight of (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate is 418.08 g/mol.
Where can I buy (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate?
You can request a quote for (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-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)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-((7-benzylidene-3-cyano-4-(thiophen-3-yl)-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.