![4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester structure](/static/products/340/340813-50-5.png)
4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester
TL;DR: 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester (CAS 340813-50-5) is a chemical compound with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-[(3-cyano-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate
Also Known As: 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester, isopropyl 4-((3-cyano-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)-3-oxobutanoate, methylethyl 4-(3-cyano-4-(2-thienyl)(5,6,7-trihydrocyclopenta[2,1-e]pyridin-2- ylthio))-3-oxobutanoate, propan-2-yl 4-[(3-cyano-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate, propan-2-yl 4-{[3-cyano-4-(thiophen-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}-3-oxobutanoate
| Molecular Formula | C20H20N2O3S2 |
|---|---|
| Molecular Weight | 400.09 g/mol |
| LogP | 4.17338 |
| Topological Polar Surface Area | 80.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.09152 |
| Heavy Atoms | 27 |
| Complexity | 898.93604 |
Chemical Identifiers
| CAS Number | 340813-50-5 |
|---|---|
| SMILES | CC(C)OC(=O)CC(=O)CSC1=NC2=C(CCC2)C(=C1C#N)C3=CC=CS3 |
Product Overview
4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester (CAS 340813-50-5), with molecular formula C20H20N2O3S2 and molecular weight 400.09 g/mol. IUPAC: propan-2-yl 4-[(3-cyano-4-thiophen-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester
Property Insights of 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester
The XLogP value of 4.17338 indicates that 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester. Following Lipinski's Rule of Five, 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester 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 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester?
The CAS number of 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester is 340813-50-5.
What is the molecular formula of 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester?
The molecular formula of 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester is C20H20N2O3S2.
What is the molecular weight of 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester?
The molecular weight of 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester is 400.09 g/mol.
Where can I buy 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester?
You can request a quote for 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Cyano-4-thiophen-2-yl-6,7-dihydro-5H-[1]pyrindin-2-ylsulfanyl)-3-oxo-butyric acid isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.