butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
TL;DR: butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate (CAS 370844-00-1) is a chemical compound with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate, F1155-0026, butyl 2-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate, butyl 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate, butyl ({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)acetate
| Molecular Formula | C21H26N2O3S |
|---|---|
| Molecular Weight | 386.17 g/mol |
| LogP | 4.22518 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 386.1664 |
| Heavy Atoms | 27 |
| Complexity | 747.68536 |
Chemical Identifiers
| CAS Number | 370844-00-1 |
|---|---|
| SMILES | CCCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(C)C)C#N |
Product Overview
butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate (CAS 370844-00-1), with molecular formula C21H26N2O3S and molecular weight 386.17 g/mol. IUPAC: butyl 2-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
Property Insights of butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
The XLogP value of 4.22518 indicates that butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate has 1 hydrogen bond donor(s) and 5 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 butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
The CAS number of butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate is 370844-00-1.
What is the molecular formula of butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
The molecular formula of butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate is C21H26N2O3S.
What is the molecular weight of butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
The molecular weight of butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate is 386.17 g/mol.
Where can I buy butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
You can request a quote for butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-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 butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for butyl 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.