(2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate
TL;DR: (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate (CAS 137686-93-2) is a chemical compound with molecular formula C24H24F3NO11 and molecular weight 559.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-6-(4-methyl-2-oxochromen-7-yl)oxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
Also Known As: (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate, (2R,3S,4R,5R,6S)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate, [(2R,3S,4R,5R,6R)-3,4-bis(acetyloxy)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-5-(2,2,2-trifluoroacetamido)oxan-2-yl]methyl acetate, [(2R,3S,4R,5R,6S)-3,4-bis(acetyloxy)-6-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]-5-(2,2,2-trifluoroacetamido)oxan-2-yl]methyl acetate, [3,4-diacetyloxy-6-(4-methyl-2-oxochromen-7-yl)oxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate
| Molecular Formula | C24H24F3NO11 |
|---|---|
| Molecular Weight | 559.13 g/mol |
| LogP | 1.67872 |
| Topological Polar Surface Area | 156.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 559.1301 |
| Heavy Atoms | 39 |
| Complexity | 1322.623 |
Chemical Identifiers
| CAS Number | 137686-93-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C(F)(F)F |
Product Overview
(2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate (CAS 137686-93-2), with molecular formula C24H24F3NO11 and molecular weight 559.13 g/mol. IUPAC: [3,4-diacetyloxy-6-(4-methyl-2-oxochromen-7-yl)oxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]methyl acetate.
Chemical Property Profile of (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate
Property Insights of (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate
The XLogP value of 1.67872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate. The TPSA of 156.67 Ų indicates high polarity, suggesting (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate?
The CAS number of (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate is 137686-93-2.
What is the molecular formula of (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate?
The molecular formula of (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate is C24H24F3NO11.
What is the molecular weight of (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate?
The molecular weight of (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate is 559.13 g/mol.
Where can I buy (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate?
You can request a quote for (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S,4R,5R,6R)-2-(Acetoxymethyl)-6-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)-5-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.