![ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate structure](/static/products/4386/438613-68-4.webp)
ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
TL;DR: ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 438613-68-4) is a chemical compound with molecular formula C29H30F3NO6 and molecular weight 545.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-amino-4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate, ethyl 2-amino-4-(4-methoxy-3-((3-(trifluoromethyl)phenoxy)methyl)phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
| Molecular Formula | C29H30F3NO6 |
|---|---|
| Molecular Weight | 545.20 g/mol |
| LogP | 5.7834 |
| Topological Polar Surface Area | 97.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 545.2025 |
| Heavy Atoms | 39 |
| Complexity | 1359.0319 |
Chemical Identifiers
| CAS Number | 438613-68-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC=CC(=C4)C(F)(F)F)C(=O)CC(C2)(C)C)N |
Product Overview
ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 438613-68-4), with molecular formula C29H30F3NO6 and molecular weight 545.20 g/mol. IUPAC: ethyl 2-amino-4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Property Insights of ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
The XLogP value of 5.7834 indicates that ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate has 1 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 ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The CAS number of ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 438613-68-4.
What is the molecular formula of ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular formula of ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is C29H30F3NO6.
What is the molecular weight of ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular weight of ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 545.20 g/mol.
Where can I buy ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
You can request a quote for ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-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 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-amino-4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.