![2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile structure](/static/products/4452/445236-68-0.webp)
2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
TL;DR: 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 445236-68-0) is a chemical compound with molecular formula C25H21F3N2O4 and molecular weight 470.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile, 2-AMINO-4-(4-METHOXY-3-{[3-(TRIFLUOROMETHYL)PHENOXY]METHYL}PHENYL)-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE
| Molecular Formula | C25H21F3N2O4 |
|---|---|
| Molecular Weight | 470.15 g/mol |
| LogP | 5.10778 |
| Topological Polar Surface Area | 94.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.14536 |
| Heavy Atoms | 34 |
| Complexity | 1241.4524 |
Chemical Identifiers
| CAS Number | 445236-68-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)COC4=CC=CC(=C4)C(F)(F)F |
Product Overview
2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (CAS 445236-68-0), with molecular formula C25H21F3N2O4 and molecular weight 470.15 g/mol. IUPAC: 2-amino-4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Property Insights of 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
The XLogP value of 5.10778 indicates that 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The CAS number of 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 445236-68-0.
What is the molecular formula of 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular formula of 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is C25H21F3N2O4.
What is the molecular weight of 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
The molecular weight of 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile is 470.15 g/mol.
Where can I buy 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
You can request a quote for 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.