![ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate structure](/static/products/5158/515857-69-9.webp)
ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate
TL;DR: ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate (CAS 515857-69-9) is a chemical compound with molecular formula C22H19F3N2O5 and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-amino-5-cyano-2-methyl-4-[5-[[3-(trifluoromethyl)phenoxy]methyl]furan-2-yl]-4H-pyran-3-carboxylate
Also Known As: ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-methyl-4-[5-[[3-(trifluoromethyl)phenoxy]methyl]furan-2-yl]-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-methyl-4-(5-((3-(trifluoromethyl)phenoxy)methyl)furan-2-yl)-4H-pyran-3-carboxylate, ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}furan-2-yl)-4H-pyran-3-carboxylate
| Molecular Formula | C22H19F3N2O5 |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 4.52218 |
| Topological Polar Surface Area | 107.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.1246 |
| Heavy Atoms | 32 |
| Complexity | 1125.0714 |
Chemical Identifiers
| CAS Number | 515857-69-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C1C2=CC=C(O2)COC3=CC=CC(=C3)C(F)(F)F)C#N)N)C |
Product Overview
ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate (CAS 515857-69-9), with molecular formula C22H19F3N2O5 and molecular weight 448.12 g/mol. IUPAC: ethyl 6-amino-5-cyano-2-methyl-4-[5-[[3-(trifluoromethyl)phenoxy]methyl]furan-2-yl]-4H-pyran-3-carboxylate.
Chemical Property Profile of ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate
Property Insights of ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate
The XLogP value of 4.52218 indicates that ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate. Following Lipinski's Rule of Five, ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate has 1 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 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate?
The CAS number of ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate is 515857-69-9.
What is the molecular formula of ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate?
The molecular formula of ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate is C22H19F3N2O5.
What is the molecular weight of ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate?
The molecular weight of ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate is 448.12 g/mol.
Where can I buy ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate?
You can request a quote for ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-amino-5-cyano-2-methyl-4-(5-{[3-(trifluoromethyl)phenoxy]methyl}-2-furyl)-4H-pyran-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.