O-methyl-di-N-acetyl beta-chitobioside
TL;DR: O-methyl-di-N-acetyl beta-chitobioside (CAS 19272-54-9) is a chemical compound with molecular formula C17H30N2O11 and molecular weight 438.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: O-Methyl-di-N-acetyl beta-chitobioside, Methyl N,N'-diacetyl-beta-D-chitobioside, J1.455.420C, N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide, beta-D-Glucopyranoside, methyl 2-(acetylamino)-4-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-
| Molecular Formula | C17H30N2O11 |
|---|---|
| Molecular Weight | 438.18 g/mol |
| LogP | -4.4555 |
| Topological Polar Surface Area | 196.27 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 438.18497 |
| Heavy Atoms | 30 |
| Complexity | 594.0517 |
Chemical Identifiers
| CAS Number | 19272-54-9 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)NC(=O)C)OC)CO)CO)O)O |
Product Overview
O-methyl-di-N-acetyl beta-chitobioside (CAS 19272-54-9), with molecular formula C17H30N2O11 and molecular weight 438.18 g/mol. IUPAC: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of O-methyl-di-N-acetyl beta-chitobioside
Property Insights of O-methyl-di-N-acetyl beta-chitobioside
The XLogP value of -4.4555 indicates that O-methyl-di-N-acetyl beta-chitobioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.27 Ų indicates high polarity, suggesting O-methyl-di-N-acetyl beta-chitobioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, O-methyl-di-N-acetyl beta-chitobioside has 7 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 O-methyl-di-N-acetyl beta-chitobioside?
The CAS number of O-methyl-di-N-acetyl beta-chitobioside is 19272-54-9.
What is the molecular formula of O-methyl-di-N-acetyl beta-chitobioside?
The molecular formula of O-methyl-di-N-acetyl beta-chitobioside is C17H30N2O11.
What is the molecular weight of O-methyl-di-N-acetyl beta-chitobioside?
The molecular weight of O-methyl-di-N-acetyl beta-chitobioside is 438.18 g/mol.
Where can I buy O-methyl-di-N-acetyl beta-chitobioside?
You can request a quote for O-methyl-di-N-acetyl beta-chitobioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-methyl-di-N-acetyl beta-chitobioside?
Yes, KEHONG BIO provides custom synthesis services for O-methyl-di-N-acetyl beta-chitobioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.