allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 796880-19-8) is a chemical compound with molecular formula C21H25N3O4S and molecular weight 415.16 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-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 5-cyano-6-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C21H25N3O4S |
|---|---|
| Molecular Weight | 415.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 415.1566 |
| Heavy Atoms | 29 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 796880-19-8 |
|---|---|
| SMILES | CCN(CC)C(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CO2)C#N |
| InChIKey | JNYMAFJWWRAFIQ-UHFFFAOYSA-N |
Product Overview
allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 796880-19-8), with molecular formula C21H25N3O4S and molecular weight 415.16 g/mol. IUPAC: prop-2-enyl 5-cyano-6-[2-(diethylamino)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate 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 allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 796880-19-8.
What is the molecular formula of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate is C21H25N3O4S.
What is the molecular weight of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 415.16 g/mol.
Where can I buy allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-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)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 5-cyano-6-((2-(diethylamino)-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.