methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate
TL;DR: methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate (CAS 685095-39-0) is a chemical compound with molecular formula C24H22FN3O4S and molecular weight 467.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3-cyano-4-(2-fluorophenyl)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate, methyl ({3-cyano-4-(2-fluorophenyl)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-1,4-dihydropyridin-2-yl}sulfanyl)acetate, methyl 2-[[3-cyano-4-(2-fluorophenyl)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate
| Molecular Formula | C24H22FN3O4S |
|---|---|
| Molecular Weight | 467.13 g/mol |
| LogP | 4.07518 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 467.1315 |
| Heavy Atoms | 33 |
| Complexity | 1186.2269 |
Chemical Identifiers
| CAS Number | 685095-39-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC=CC=C2F)C(=O)NC3=CC=CC=C3OC |
Product Overview
methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate (CAS 685095-39-0), with molecular formula C24H22FN3O4S and molecular weight 467.13 g/mol. IUPAC: methyl 2-[[3-cyano-4-(2-fluorophenyl)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate
Property Insights of methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate
The XLogP value of 4.07518 indicates that methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-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-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate?
The CAS number of methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate is 685095-39-0.
What is the molecular formula of methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate?
The molecular formula of methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate is C24H22FN3O4S.
What is the molecular weight of methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate?
The molecular weight of methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate is 467.13 g/mol.
Where can I buy methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate?
You can request a quote for methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-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-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-((3-cyano-4-(2-fluorophenyl)-5-((2-methoxyphenyl)carbamoyl)-6-methyl-1,4-dihydropyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.