![propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate structure](/static/products/796/796880-07-4.png)
propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate
TL;DR: propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate (CAS 796880-07-4) is a chemical compound with molecular formula C24H22F3N3O4S and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,4-dihydropyridin-2-yl]sulfanyl]acetate
Also Known As: propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate, propyl 2-((3-cyano-4-(furan-2-yl)-6-methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)-1,4-dihydropyridin-2-yl)thio)acetate, propyl 2-[[3-cyano-4-(furan-2-yl)-6-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,4-dihydropyridin-2-yl]sulfanyl]acetate
| Molecular Formula | C24H22F3N3O4S |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 5.31948 |
| Topological Polar Surface Area | 104.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 505.12833 |
| Heavy Atoms | 35 |
| Complexity | 1197.3368 |
Chemical Identifiers
| CAS Number | 796880-07-4 |
|---|---|
| SMILES | CCCOC(=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
propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate (CAS 796880-07-4), with molecular formula C24H22F3N3O4S and molecular weight 505.13 g/mol. IUPAC: propyl 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 propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate
Property Insights of propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate
The XLogP value of 5.31948 indicates that propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}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 propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate?
The CAS number of propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate is 796880-07-4.
What is the molecular formula of propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate?
The molecular formula of propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate is C24H22F3N3O4S.
What is the molecular weight of propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate?
The molecular weight of propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate is 505.13 g/mol.
Where can I buy propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate?
You can request a quote for propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for propyl {[3-cyano-4-(furan-2-yl)-6-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}-1,4-dihydropyridin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.