![[6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide structure](/static/products/340/340808-38-0.png)
[6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide
TL;DR: [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide (CAS 340808-38-0) is a chemical compound with molecular formula C30H29N3O2S2 and molecular weight 527.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide
Also Known As: [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide|5-cyano-2-methyl-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}-N-phenyl-4-(thiophen-2-yl)pyridine-3-carboxamide|6-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-5-cyano-2-methyl-N-phenyl-4-(thiophen-2-yl)nicotinamide|6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide
| Molecular Formula | C30H29N3O2S2 |
|---|---|
| Molecular Weight | 527.17 g/mol |
| LogP | 7.1201 |
| Topological Polar Surface Area | 82.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 527.1701 |
| Heavy Atoms | 37 |
| Complexity | 1357.1406 |
Chemical Identifiers
| CAS Number | 340808-38-0 |
|---|---|
| SMILES | CC1=C(C(=C(C(=N1)SCC(=O)C23CC4CC(C2)CC(C4)C3)C#N)C5=CC=CS5)C(=O)NC6=CC=CC=C6 |
Product Overview
[6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide (CAS 340808-38-0), with molecular formula C30H29N3O2S2 and molecular weight 527.17 g/mol. IUPAC: 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-N-phenyl-4-thiophen-2-ylpyridine-3-carboxamide.
Chemical Property Profile of [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide
Property Insights of [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide
The XLogP value of 7.1201 indicates that [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.85 Ų falls within the moderate polarity range, balancing permeability and solubility for [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide. Following Lipinski's Rule of Five, [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide has 1 hydrogen bond donor(s) and 6 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-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide?
The CAS number of [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide is 340808-38-0.
What is the molecular formula of [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide?
The molecular formula of [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide is C30H29N3O2S2.
What is the molecular weight of [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide?
The molecular weight of [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide is 527.17 g/mol.
Where can I buy [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide?
You can request a quote for [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide?
Yes, KEHONG BIO provides custom synthesis services for [6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)(3-pyridyl)]-N -benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.