![ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate structure](/static/products/3408/340807-70-7.webp)
ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
TL;DR: ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate (CAS 340807-70-7) is a chemical compound with molecular formula C26H31N3O3S2 and molecular weight 497.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate, ethyl 6-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-2-methyl-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-ylamino)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, ethyl 6-((2-(adamantan-1-ylamino)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C26H31N3O3S2 |
|---|---|
| Molecular Weight | 497.18 g/mol |
| LogP | 4.82538 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.1807 |
| Heavy Atoms | 34 |
| Complexity | 1047.9802 |
Chemical Identifiers
| CAS Number | 340807-70-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC(=O)NC34CC5CC(C3)CC(C5)C4)C |
Product Overview
ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate (CAS 340807-70-7), with molecular formula C26H31N3O3S2 and molecular weight 497.18 g/mol. IUPAC: ethyl 6-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
Property Insights of ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
The XLogP value of 4.82538 indicates that ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate. Following Lipinski's Rule of Five, ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate 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-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate?
The CAS number of ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate is 340807-70-7.
What is the molecular formula of ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate?
The molecular formula of ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate is C26H31N3O3S2.
What is the molecular weight of ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate?
The molecular weight of ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate is 497.18 g/mol.
Where can I buy ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate?
You can request a quote for ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate 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-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-{[2-(1-adamantylamino)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.