![ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate structure](/static/products/6927/692775-10-3.webp)
ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate
TL;DR: ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate (CAS 692775-10-3) is a chemical compound with molecular formula C23H20F3N3O4S and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate, ethyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate, ethyl 2-((3-cyano-4-(furan-2-yl)-6-methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)-1,4-dihydropyridin-2-yl)thio)acetate, ethyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,4-dihydropyridin-2-yl]sulfanyl]acetate, REGID_for_CID_2941095
| Molecular Formula | C23H20F3N3O4S |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 4.92938 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 491.11267 |
| Heavy Atoms | 34 |
| Complexity | 1180.8075 |
Chemical Identifiers
| CAS Number | 692775-10-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CO3)C#N |
Product Overview
ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate (CAS 692775-10-3), with molecular formula C23H20F3N3O4S and molecular weight 491.11 g/mol. IUPAC: ethyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,4-dihydropyridin-2-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate
Property Insights of ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate
The XLogP value of 4.92938 indicates that ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.36 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate. Following Lipinski's Rule of Five, ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]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 ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate?
The CAS number of ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate is 692775-10-3.
What is the molecular formula of ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate?
The molecular formula of ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate is C23H20F3N3O4S.
What is the molecular weight of ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate?
The molecular weight of ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate is 491.11 g/mol.
Where can I buy ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate?
You can request a quote for ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[3-cyano-4-(2-furyl)-6-methyl-5-({[3-(trifluoromethyl)phenyl]amino}carbonyl)-1,4-dihydro-2-pyridinyl]thio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.