X-NeuNAc
TL;DR: X-NeuNAc (CAS 160369-85-7) is a chemical compound with molecular formula C19H21BrClN2NaO9 and molecular weight 558.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
Also Known As: X-NeuNAc, SODIUM, W-5120, 5-Bromo-4-chloro-3-indoxyl-a-D-N-acetylneuraminic acid, sodium salt, 5-Bromo-4-chloro-3-indolyl-alpha-D-N-acetylneuraminic acid sodium salt
| Molecular Formula | C19H21BrClN2NaO9 |
|---|---|
| Molecular Weight | 558.00 g/mol |
| LogP | -4.2186 |
| Topological Polar Surface Area | 184.4 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 558.00165 |
| Heavy Atoms | 33 |
| Complexity | 1024.5549 |
Chemical Identifiers
| CAS Number | 160369-85-7 |
|---|---|
| SMILES | CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OC2=CNC3=C2C(=C(C=C3)Br)Cl)O.[Na+] |
Product Overview
X-NeuNAc (CAS 160369-85-7), with molecular formula C19H21BrClN2NaO9 and molecular weight 558.00 g/mol. IUPAC: sodium 5-acetamido-2-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate.
Chemical Property Profile of X-NeuNAc
Property Insights of X-NeuNAc
The XLogP value of -4.2186 indicates that X-NeuNAc is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.4 Ų indicates high polarity, suggesting X-NeuNAc may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, X-NeuNAc has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of X-NeuNAc?
The CAS number of X-NeuNAc is 160369-85-7.
What is the molecular formula of X-NeuNAc?
The molecular formula of X-NeuNAc is C19H21BrClN2NaO9.
What is the molecular weight of X-NeuNAc?
The molecular weight of X-NeuNAc is 558.00 g/mol.
Where can I buy X-NeuNAc?
You can request a quote for X-NeuNAc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for X-NeuNAc?
Yes, KEHONG BIO provides custom synthesis services for X-NeuNAc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.