![N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium structure](/static/products/1031/1031262-87-9.webp)
N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium
TL;DR: N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium (CAS 1031262-87-9) is a chemical compound with molecular formula C22H29N4O2S+ and molecular weight 413.2011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]sulfanyl]ethyl-dimethyl-[2-(3-methylanilino)-2-oxoethyl]azanium
Also Known As: N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium, (2-{[3-CYANO-4-(METHOXYMETHYL)-6-METHYLPYRIDIN-2-YL]SULFANYL}ETHYL)DIMETHYL{[(3-METHYLPHENYL)CARBAMOYL]METHYL}AZANIUM, 2-[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanylethyl-dimethyl-[2-(3-methylanilino)-2-oxoethyl]azanium, N-[2-[[3-Cyano-4-(methoxymethyl)-6-methyl-2-pyridinyl]thio]ethyl]-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium
Technical Specifications
| Molecular Formula | C22H29N4O2S+ |
| Molecular Weight | 413.2011 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.2011 Da |
| Heavy Atoms | 29 |
| Complexity | 576.0 |
| SMILES | CC1=CC(=CC=C1)NC(=O)C[N+](C)(C)CCSC2=NC(=CC(=C2C#N)COC)C |
| InChIKey | BTLMATVPJQDJHB-UHFFFAOYSA-O |
Chemical Property Profile of N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium
Property Insights of N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium. Following Lipinski's Rule of Five, N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium?
The CAS number of N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium is 1031262-87-9.
What is the molecular formula of N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium?
The molecular formula of N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium is C22H29N4O2S+.
What is the molecular weight of N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium?
The molecular weight of N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium is 413.2011 g/mol.
Where can I buy N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium?
You can request a quote for N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium?
Yes, CoreyChem provides custom synthesis services for N-(2-{[3-cyano-4-(methoxymethyl)-6-methylpyridin-2-yl]sulfanyl}ethyl)-N,N-dimethyl-2-[(3-methylphenyl)amino]-2-oxoethanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.