5E-919
TL;DR: 5E-919 (CAS 338755-81-0) is a chemical compound with molecular formula C27H18F6O6 and molecular weight 552.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-3-[[3-(trifluoromethyl)benzoyl]oxymethyl]-2H-chromen-3-yl]methyl 3-(trifluoromethyl)benzoate
Also Known As: 5E-919, [4-oxo-3-({[3-(trifluoromethyl)benzoyl]oxy}methyl)-3,4-dihydro-2H-chromen-3-yl]methyl 3-(trifluoromethyl)benzenecarboxylate, [4-oxo-3-[[3-(trifluoromethyl)benzoyl]oxymethyl]-2H-chromen-3-yl]methyl 3-(trifluoromethyl)benzoate, (4-oxo-3-{[3-(trifluoromethyl)benzoyloxy]methyl}-3,4-dihydro-2H-1-benzopyran-3-yl)methyl 3-(trifluoromethyl)benzoate, (4-oxo-3-{[3-(trifluoromethyl)benzoyloxy]methyl}-3,4-dihydro-2H-1-benzopyran-3-yl)methyl3-(trifluoromethyl)benzoate
| Molecular Formula | C27H18F6O6 |
|---|---|
| Molecular Weight | 552.10 g/mol |
| LogP | 5.9997 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 552.10077 |
| Heavy Atoms | 39 |
| Complexity | 1338.6167 |
Chemical Identifiers
| CAS Number | 338755-81-0 |
|---|---|
| SMILES | C1C(C(=O)C2=CC=CC=C2O1)(COC(=O)C3=CC(=CC=C3)C(F)(F)F)COC(=O)C4=CC(=CC=C4)C(F)(F)F |
Product Overview
5E-919 (CAS 338755-81-0), with molecular formula C27H18F6O6 and molecular weight 552.10 g/mol. IUPAC: [4-oxo-3-[[3-(trifluoromethyl)benzoyl]oxymethyl]-2H-chromen-3-yl]methyl 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 5E-919
Property Insights of 5E-919
The XLogP value of 5.9997 indicates that 5E-919 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5E-919. Following Lipinski's Rule of Five, 5E-919 has 0 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 5E-919?
The CAS number of 5E-919 is 338755-81-0.
What is the molecular formula of 5E-919?
The molecular formula of 5E-919 is C27H18F6O6.
What is the molecular weight of 5E-919?
The molecular weight of 5E-919 is 552.10 g/mol.
Where can I buy 5E-919?
You can request a quote for 5E-919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5E-919?
Yes, KEHONG BIO provides custom synthesis services for 5E-919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.