X-GlcNAc
TL;DR: X-GlcNAc (CAS 210110-89-7) is a chemical compound with molecular formula C16H18BrClN2O6 and molecular weight 448.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Also Known As: X-GlcNAc, 4-Bromo-4-sulfobiphenyl, 5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-glucosaminide, 5-Bromo-4-chloro-3-indolyl-N-acetyl-beta-D-galactosaminide, 5-Bromo-4-chloro-3-indolyl-N-acetyl-b-D-galactosaminide
| Molecular Formula | C16H18BrClN2O6 |
|---|---|
| Molecular Weight | 448.00 g/mol |
| LogP | 0.9063 |
| Topological Polar Surface Area | 124.04 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.0037 |
| Heavy Atoms | 26 |
| Complexity | 815.379 |
Chemical Identifiers
| CAS Number | 210110-89-7 |
|---|---|
| SMILES | CC(=O)NC1C(C(C(OC1OC2=CNC3=C2C(=C(C=C3)Br)Cl)CO)O)O |
Product Overview
X-GlcNAc (CAS 210110-89-7), with molecular formula C16H18BrClN2O6 and molecular weight 448.00 g/mol. IUPAC: N-[2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
Chemical Property Profile of X-GlcNAc
Property Insights of X-GlcNAc
The XLogP value of 0.9063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for X-GlcNAc. The TPSA of 124.04 Ų falls within the moderate polarity range, balancing permeability and solubility for X-GlcNAc. Following Lipinski's Rule of Five, X-GlcNAc has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of X-GlcNAc?
The CAS number of X-GlcNAc is 210110-89-7.
What is the molecular formula of X-GlcNAc?
The molecular formula of X-GlcNAc is C16H18BrClN2O6.
What is the molecular weight of X-GlcNAc?
The molecular weight of X-GlcNAc is 448.00 g/mol.
Where can I buy X-GlcNAc?
You can request a quote for X-GlcNAc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for X-GlcNAc?
Yes, KEHONG BIO provides custom synthesis services for X-GlcNAc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.