1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside
TL;DR: 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside (CAS 76418-42-3) is a chemical compound with molecular formula C17H24F6N2O11 and molecular weight 546.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide
Also Known As: 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside, beta-D-Glucopyranoside, methyl 2-deoxy-4-O-(2-deoxy-2-((trifluoroacetyl)amino)-beta-D-glucopyranosyl)-2-((trifluoroacetyl)amino)-, N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide, Methyl 2-deoxy-4-O-{2-deoxy-2-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]-beta-D-glucopyranosyl}-2-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]-beta-D-glucopyranoside, Methyl 2-deoxy-4-O-{2-deoxy-2-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranosyl}-2-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranoside
| Molecular Formula | C17H24F6N2O11 |
|---|---|
| Molecular Weight | 546.13 g/mol |
| LogP | -2.0 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 546.1284 |
| Heavy Atoms | 36 |
| Complexity | 772.0 |
Chemical Identifiers
| CAS Number | 76418-42-3 |
|---|---|
| SMILES | CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)C(F)(F)F)O)NC(=O)C(F)(F)F |
| InChIKey | HRJYAJICPXUCTB-ZPYORWKPSA-N |
Product Overview
1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside (CAS 76418-42-3), with molecular formula C17H24F6N2O11 and molecular weight 546.13 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-2-[(2R,3S,4R,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-methoxy-5-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl]oxy-6-(hydroxymethyl)oxan-3-yl]-2,2,2-trifluoroacetamide.
Chemical Property Profile of 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside
Property Insights of 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside
The XLogP value of -2.0 indicates that 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside has 7 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside?
The CAS number of 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside is 76418-42-3.
What is the molecular formula of 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside?
The molecular formula of 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside is C17H24F6N2O11.
What is the molecular weight of 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside?
The molecular weight of 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside is 546.13 g/mol.
Where can I buy 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside?
You can request a quote for 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside?
Yes, KEHONG BIO provides custom synthesis services for 1-O-Methyl-di-N-trifluoroacetyl-beta-chitobioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.