(S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate
TL;DR: (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate (CAS 312964-64-0) is a chemical compound with molecular formula C30H26F3NO7 and molecular weight 569.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
Also Known As: (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate, [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate, 4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl N-(tert-butoxycarbonyl)-L-phenylalaninate
| Molecular Formula | C30H26F3NO7 |
|---|---|
| Molecular Weight | 569.17 g/mol |
| LogP | 6.6455 |
| Topological Polar Surface Area | 104.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 569.16614 |
| Heavy Atoms | 41 |
| Complexity | 1594.4624 |
Chemical Identifiers
| CAS Number | 312964-64-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)OC4=CC=CC=C4 |
Product Overview
(S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate (CAS 312964-64-0), with molecular formula C30H26F3NO7 and molecular weight 569.17 g/mol. IUPAC: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate.
Chemical Property Profile of (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate
Property Insights of (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate
The XLogP value of 6.6455 indicates that (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate. Following Lipinski's Rule of Five, (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate 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 (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
The CAS number of (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is 312964-64-0.
What is the molecular formula of (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
The molecular formula of (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is C30H26F3NO7.
What is the molecular weight of (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
The molecular weight of (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate is 569.17 g/mol.
Where can I buy (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
You can request a quote for (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)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 (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (S)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-7-yl 2-((tert-butoxycarbonyl)amino)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.