![propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate structure](/static/products/340/340817-98-3.png)
propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
TL;DR: propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate (CAS 340817-98-3) is a chemical compound with molecular formula C22H23N3O3S and molecular weight 409.15 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-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate
Also Known As: propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate, isopropyl 4-((3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)-3-oxobutanoate, isopropyl 4-{[3-cyano-4-(3-pyridinyl)-5,6,7,8-tetrahydro-2-quinolinyl]sulfanyl}-3-oxobutanoate, propan-2-yl 4-[(3-cyano-4-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate
| Molecular Formula | C22H23N3O3S |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 3.89698 |
| Topological Polar Surface Area | 92.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.14603 |
| Heavy Atoms | 29 |
| Complexity | 952.01025 |
Chemical Identifiers
| CAS Number | 340817-98-3 |
|---|---|
| SMILES | CC(C)OC(=O)CC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CN=CC=C3 |
Product Overview
propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate (CAS 340817-98-3), with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol. IUPAC: propan-2-yl 4-[(3-cyano-4-pyridin-3-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate.
Chemical Property Profile of propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
Property Insights of propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate
The XLogP value of 3.89698 indicates that propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.94 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate. Following Lipinski's Rule of Five, propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate 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 propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate?
The CAS number of propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate is 340817-98-3.
What is the molecular formula of propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate?
The molecular formula of propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate is C22H23N3O3S.
What is the molecular weight of propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate?
The molecular weight of propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate is 409.15 g/mol.
Where can I buy propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate?
You can request a quote for propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 4-{[3-cyano-4-(pyridin-3-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.