2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 799771-35-0) is a chemical compound with molecular formula C21H27N3O5S and molecular weight 433.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 6-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, 2-methoxyethyl 6-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, 2-methoxyethyl 6-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C21H27N3O5S |
|---|---|
| Molecular Weight | 433.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 433.16714 |
| Heavy Atoms | 30 |
| Complexity | 775.0 |
Chemical Identifiers
| CAS Number | 799771-35-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC(C)(C)C)C#N)C2=CC=CO2)C(=O)OCCOC |
| InChIKey | PREAMKZIGUMBOS-UHFFFAOYSA-N |
Product Overview
2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 799771-35-0), with molecular formula C21H27N3O5S and molecular weight 433.17 g/mol. IUPAC: 2-methoxyethyl 6-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 8 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 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 799771-35-0.
What is the molecular formula of 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate is C21H27N3O5S.
What is the molecular weight of 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 433.17 g/mol.
Where can I buy 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-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 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxyethyl 6-((2-(tert-butylamino)-2-oxoethyl)thio)-5-cyano-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.