ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate
TL;DR: ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate (CAS 499208-76-3) is a chemical compound with molecular formula C25H24N2O5S and molecular weight 464.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-3-oxobutanoate
Also Known As: ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate, ethyl 4-({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-3-oxobutanoate, ethyl 4-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-3-oxobutanoate
| Molecular Formula | C25H24N2O5S |
|---|---|
| Molecular Weight | 464.14 g/mol |
| LogP | 3.85978 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 464.1406 |
| Heavy Atoms | 33 |
| Complexity | 1074.2262 |
Chemical Identifiers
| CAS Number | 499208-76-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N |
Product Overview
ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate (CAS 499208-76-3), with molecular formula C25H24N2O5S and molecular weight 464.14 g/mol. IUPAC: ethyl 4-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-3-oxobutanoate.
Chemical Property Profile of ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate
Property Insights of ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate
The XLogP value of 3.85978 indicates that ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate. Following Lipinski's Rule of Five, ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate has 1 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 ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate?
The CAS number of ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate is 499208-76-3.
What is the molecular formula of ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate?
The molecular formula of ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate is C25H24N2O5S.
What is the molecular weight of ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate?
The molecular weight of ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate is 464.14 g/mol.
Where can I buy ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate?
You can request a quote for ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-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-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.