5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester
TL;DR: 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester (CAS 796876-70-5) is a chemical compound with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester, allyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(phenylamino)ethyl)thio)-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 5-cyano-4-(furan-2-yl)-2-methyl-6-{[2-oxo-2-(phenylamino)ethyl]sulfanyl}-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H21N3O4S |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 4.07668 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.12527 |
| Heavy Atoms | 31 |
| Complexity | 1065.9961 |
Chemical Identifiers
| CAS Number | 796876-70-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=CO3)C(=O)OCC=C |
Product Overview
5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester (CAS 796876-70-5), with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol. IUPAC: prop-2-enyl 6-(2-anilino-2-oxoethyl)sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester
Property Insights of 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester
The XLogP value of 4.07668 indicates that 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester. Following Lipinski's Rule of Five, 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester has 2 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 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester?
The CAS number of 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester is 796876-70-5.
What is the molecular formula of 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester?
The molecular formula of 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester is C23H21N3O4S.
What is the molecular weight of 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester?
The molecular weight of 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester is 435.13 g/mol.
Where can I buy 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester?
You can request a quote for 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Cyano-4-furan-2-yl-2-methyl-6-phenylcarbamoylmethylsulfanyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.