![benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate structure](/static/products/6932/693238-55-0.webp)
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
TL;DR: benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate (CAS 693238-55-0) is a chemical compound with molecular formula C27H22N4O6S and molecular weight 530.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate, benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate, benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C27H22N4O6S |
|---|---|
| Molecular Weight | 530.13 g/mol |
| LogP | 4.99908 |
| Topological Polar Surface Area | 147.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 530.126 |
| Heavy Atoms | 38 |
| Complexity | 1440.9332 |
Chemical Identifiers
| CAS Number | 693238-55-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CO3)C(=O)OCC4=CC=CC=C4 |
Product Overview
benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate (CAS 693238-55-0), with molecular formula C27H22N4O6S and molecular weight 530.13 g/mol. IUPAC: benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Property Insights of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 4.99908 indicates that benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.5 Ų indicates high polarity, suggesting benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate is 693238-55-0.
What is the molecular formula of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate is C27H22N4O6S.
What is the molecular weight of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate is 530.13 g/mol.
Where can I buy benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-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 benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.