![methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate structure](/static/products/3526/352681-64-2.webp)
methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
TL;DR: methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 352681-64-2) is a chemical compound with molecular formula C23H26F3NO6 and molecular weight 469.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-amino-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate
Also Known As: methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate, methyl 2-amino-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate, methyl 2-amino-4-(4-methoxy-3-((2,2,2-trifluoroethoxy)methyl)phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
| Molecular Formula | C23H26F3NO6 |
|---|---|
| Molecular Weight | 469.17 g/mol |
| LogP | 3.8744 |
| Topological Polar Surface Area | 97.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.17123 |
| Heavy Atoms | 33 |
| Complexity | 1025.5133 |
Chemical Identifiers
| CAS Number | 352681-64-2 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C(=O)OC)C3=CC(=C(C=C3)OC)COCC(F)(F)F)C(=O)C1)C |
Product Overview
methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 352681-64-2), with molecular formula C23H26F3NO6 and molecular weight 469.17 g/mol. IUPAC: methyl 2-amino-4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carboxylate.
Chemical Property Profile of methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
Property Insights of methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
The XLogP value of 3.8744 indicates that methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)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 methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The CAS number of methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 352681-64-2.
What is the molecular formula of methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular formula of methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is C23H26F3NO6.
What is the molecular weight of methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
The molecular weight of methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate is 469.17 g/mol.
Where can I buy methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
You can request a quote for methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)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 methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-amino-4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)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.