![ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate structure](/static/products/290/290299-66-0.png)
ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate
TL;DR: ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate (CAS 290299-66-0) is a chemical compound with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate, ethyl 4-[(4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)sulfanyl]-3-oxobutanoate, Ethyl 4-[(5-cyano-2-methyl-3-azabicyclo[4.3.0]nona-1,3,5-trien-4-yl)sulfanyl]-3-oxo-butanoate
| Molecular Formula | C16H18N2O3S |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 2.3648 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.10382 |
| Heavy Atoms | 22 |
| Complexity | 649.7715 |
Chemical Identifiers
| CAS Number | 290299-66-0 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=NC(=C2CCCC2=C1C#N)C |
Product Overview
ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate (CAS 290299-66-0), with molecular formula C16H18N2O3S and molecular weight 318.10 g/mol. IUPAC: ethyl 4-[(4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate
Property Insights of ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate
The XLogP value of 2.3648 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate has 0 hydrogen bond donor(s) and 6 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 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate?
The CAS number of ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate is 290299-66-0.
What is the molecular formula of ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate?
The molecular formula of ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate is C16H18N2O3S.
What is the molecular weight of ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate?
The molecular weight of ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate is 318.10 g/mol.
Where can I buy ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate?
You can request a quote for ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((4-cyano-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.