allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 799790-95-7) is a chemical compound with molecular formula C23H27N3O3S and molecular weight 425.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 5-cyano-6-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H27N3O3S |
|---|---|
| Molecular Weight | 425.18 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 425.1773 |
| Heavy Atoms | 30 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 799790-95-7 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CC=C2)C#N |
| InChIKey | QSNYQXXHDVJRSK-UHFFFAOYSA-N |
Product Overview
allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 799790-95-7), with molecular formula C23H27N3O3S and molecular weight 425.18 g/mol. IUPAC: prop-2-enyl 5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 3.7 indicates that allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate has 1 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 allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate is 799790-95-7.
What is the molecular formula of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate is C23H27N3O3S.
What is the molecular weight of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate is 425.18 g/mol.
Where can I buy allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.