Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate
TL;DR: Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate (CAS 369608-03-7) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[6-amino-3,5-dicyano-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: Methyl 2-[[6-amino-3,5-dicyano-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate, methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 2.01708 |
| Topological Polar Surface Area | 111.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 814.6148 |
Chemical Identifiers
| CAS Number | 369608-03-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C(=C(NC(=C2C#N)SCC(=O)OC)N)C#N |
Product Overview
Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate (CAS 369608-03-7), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: methyl 2-[[6-amino-3,5-dicyano-4-(2-methylphenyl)-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate
Property Insights of Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate
The XLogP value of 2.01708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate. The TPSA of 111.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate 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 Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate?
The CAS number of Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate is 369608-03-7.
What is the molecular formula of Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate?
The molecular formula of Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate is C17H16N4O2S.
What is the molecular weight of Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate?
The molecular weight of Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate is 340.10 g/mol.
Where can I buy Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate?
You can request a quote for Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((6-amino-3,5-dicyano-4-(o-tolyl)-1,4-dihydropyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.