![ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate structure](/static/products/1118/111853-35-1.webp)
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate
TL;DR: ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate (CAS 111853-35-1) is a chemical compound with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate, ethyl 6-((2-amino-2-oxoethyl)thio)-5-cyano-2-methyl-1,4-dihydro-[4,4'-bipyridine]-3-carboxylate, ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate, ethyl 6'-carbamoylmethylthio-5'-cyano-2'-methyl-1',4'-dihydro-4,4'-bipyridine-3'-carboxylate, ETHYL 6-[(CARBAMOYLMETHYL)SULFANYL]-5-CYANO-2-METHYL-1,4-DIHYDRO-[4,4'-BIPYRIDINE]-3-CARBOXYLATE
| Molecular Formula | C17H18N4O3S |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 358.10995 |
| Heavy Atoms | 25 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 111853-35-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=NC=C2)C#N)SCC(=O)N)C |
| InChIKey | PEUMQBPPVOHRQO-UHFFFAOYSA-N |
Product Overview
ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate (CAS 111853-35-1), with molecular formula C17H18N4O3S and molecular weight 358.11 g/mol. IUPAC: ethyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-2-methyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate
Property Insights of ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate. The TPSA of 143.0 Ų indicates high polarity, suggesting ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate 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 ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate?
The CAS number of ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate is 111853-35-1.
What is the molecular formula of ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate?
The molecular formula of ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate is C17H18N4O3S.
What is the molecular weight of ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate?
The molecular weight of ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate is 358.11 g/mol.
Where can I buy ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate?
You can request a quote for ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-[(2-amino-2-oxoethyl)sulfanyl]-5-cyano-2-methyl-1,4-dihydro-4,4'-bipyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.