4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside
TL;DR: 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside (CAS 53643-12-2) is a chemical compound with molecular formula C26H34N2O13 and molecular weight 582.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: 4-METHYL-UMBELLIFERYL-N-ACETYL-CHITOBIOSE, 4-Methylumbelliferyl Di-N-Acetyl-b-D-chitobiose, 4-Methylumbelliferyl b-D-N,N'-diacetyl-chitobioside, 4-Methylumbelliferyl N,N-diacetyl-b-D-chitobioside, 4-Methylumbelliferyl beta-D-N,N'-diacetylchitobioside
| Molecular Formula | C26H34N2O13 |
|---|---|
| Molecular Weight | 582.21 g/mol |
| LogP | -2.60808 |
| Topological Polar Surface Area | 226.48 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.2061 |
| Heavy Atoms | 41 |
| Complexity | 1301.8679 |
Chemical Identifiers
| CAS Number | 53643-12-2 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)NC(=O)C)O)NC(=O)C |
Product Overview
4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside (CAS 53643-12-2), with molecular formula C26H34N2O13 and molecular weight 582.21 g/mol. IUPAC: N-[2-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside
Property Insights of 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside
The XLogP value of -2.60808 indicates that 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.48 Ų indicates high polarity, suggesting 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside?
The CAS number of 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside is 53643-12-2.
What is the molecular formula of 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside?
The molecular formula of 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside is C26H34N2O13.
What is the molecular weight of 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside?
The molecular weight of 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside is 582.21 g/mol.
Where can I buy 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside?
You can request a quote for 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylumbelliferyl N,N-diacetyl-beta-D-chitobioside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.