![methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate structure](/static/products/369/369398-31-2.png)
methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
TL;DR: methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 369398-31-2) is a chemical compound with molecular formula C23H18ClN3O6S and molecular weight 499.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 6-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-hydroxy-3,4-dihydropyridine-3-carboxylate, methyl 6-{[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl}-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C23H18ClN3O6S |
|---|---|
| Molecular Weight | 499.06 g/mol |
| LogP | 3.17838 |
| Topological Polar Surface Area | 126.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.0605 |
| Heavy Atoms | 34 |
| Complexity | 1224.2015 |
Chemical Identifiers
| CAS Number | 369398-31-2 |
|---|---|
| SMILES | COC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC3=C(C=C2)OCO3)C#N)C4=CC=C(C=C4)Cl |
Product Overview
methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 369398-31-2), with molecular formula C23H18ClN3O6S and molecular weight 499.06 g/mol. IUPAC: methyl 6-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
Property Insights of methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
The XLogP value of 3.17838 indicates that methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.75 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 8 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 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The CAS number of methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is 369398-31-2.
What is the molecular formula of methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular formula of methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is C23H18ClN3O6S.
What is the molecular weight of methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular weight of methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate is 499.06 g/mol.
Where can I buy methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
You can request a quote for methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-((2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethyl)thio)-4-(4-chlorophenyl)-5-cyano-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.