6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
TL;DR: 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide (CAS 799795-34-9) is a chemical compound with molecular formula C29H28N4O4S and molecular weight 528.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
Also Known As: 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide, 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide, 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C29H28N4O4S |
|---|---|
| Molecular Weight | 528.18 g/mol |
| LogP | 4.9809 |
| Topological Polar Surface Area | 116.39 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.1831 |
| Heavy Atoms | 38 |
| Complexity | 1436.0098 |
Chemical Identifiers
| CAS Number | 799795-34-9 |
|---|---|
| SMILES | CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3OC)C)SCC(=O)NCC4=CC=CC=C4)C#N |
Product Overview
6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide (CAS 799795-34-9), with molecular formula C29H28N4O4S and molecular weight 528.18 g/mol. IUPAC: 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
Property Insights of 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide
The XLogP value of 4.9809 indicates that 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide. Following Lipinski's Rule of Five, 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide?
The CAS number of 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide is 799795-34-9.
What is the molecular formula of 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide?
The molecular formula of 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide is C29H28N4O4S.
What is the molecular weight of 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide?
The molecular weight of 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide is 528.18 g/mol.
Where can I buy 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide?
You can request a quote for 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-N-(2-methoxyphenyl)-2-methyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.