(R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate
TL;DR: (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate (CAS 956372-67-1) is a chemical compound with molecular formula C27H22F3NO6 and molecular weight 513.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-[[7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoate
Also Known As: (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate, methyl (2R)-2-[[7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoate, methyl N-{[7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl]methyl}-D-phenylalaninate
| Molecular Formula | C27H22F3NO6 |
|---|---|
| Molecular Weight | 513.14 g/mol |
| LogP | 5.1836 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.1399 |
| Heavy Atoms | 37 |
| Complexity | 1452.7285 |
Chemical Identifiers
| CAS Number | 956372-67-1 |
|---|---|
| SMILES | COC(=O)[C@@H](CC1=CC=CC=C1)NCC2=C(C=CC3=C2OC(=C(C3=O)OC4=CC=CC=C4)C(F)(F)F)O |
Product Overview
(R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate (CAS 956372-67-1), with molecular formula C27H22F3NO6 and molecular weight 513.14 g/mol. IUPAC: methyl (2R)-2-[[7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-8-yl]methylamino]-3-phenylpropanoate.
Chemical Property Profile of (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate
Property Insights of (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate
The XLogP value of 5.1836 indicates that (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate. Following Lipinski's Rule of Five, (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate 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 (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate?
The CAS number of (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate is 956372-67-1.
What is the molecular formula of (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate?
The molecular formula of (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate is C27H22F3NO6.
What is the molecular weight of (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate?
The molecular weight of (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate is 513.14 g/mol.
Where can I buy (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate?
You can request a quote for (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (R)-methyl 2-(((7-hydroxy-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl)methyl)amino)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.