NeuNAc-4-methylpyridine
TL;DR: NeuNAc-4-methylpyridine (CAS 300595-02-2) is a chemical compound with molecular formula C17H24N2O8 and molecular weight 384.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methylpyridin-1-ium-1-yl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Also Known As: NeuNAc-4-methylpyridine, (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methylpyridin-1-ium-1-yl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate, Pyridinium, 1-(N-acetyl-alpha-neuraminosyl)-4-methyl-, inner salt (9CI)
| Molecular Formula | C17H24N2O8 |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.15326 |
| Heavy Atoms | 27 |
| Complexity | 534.0 |
Chemical Identifiers
| CAS Number | 300595-02-2 |
|---|---|
| SMILES | CC1=CC=[N+](C=C1)[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-] |
| InChIKey | MBYRROVSLGSLND-WTUOYXTGSA-N |
Product Overview
NeuNAc-4-methylpyridine (CAS 300595-02-2), with molecular formula C17H24N2O8 and molecular weight 384.15 g/mol. IUPAC: (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-(4-methylpyridin-1-ium-1-yl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate.
Chemical Property Profile of NeuNAc-4-methylpyridine
Property Insights of NeuNAc-4-methylpyridine
The XLogP value of -0.9 indicates that NeuNAc-4-methylpyridine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 163.0 Ų indicates high polarity, suggesting NeuNAc-4-methylpyridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NeuNAc-4-methylpyridine has 5 hydrogen bond donor(s) and 8 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 NeuNAc-4-methylpyridine?
The CAS number of NeuNAc-4-methylpyridine is 300595-02-2.
What is the molecular formula of NeuNAc-4-methylpyridine?
The molecular formula of NeuNAc-4-methylpyridine is C17H24N2O8.
What is the molecular weight of NeuNAc-4-methylpyridine?
The molecular weight of NeuNAc-4-methylpyridine is 384.15 g/mol.
Where can I buy NeuNAc-4-methylpyridine?
You can request a quote for NeuNAc-4-methylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NeuNAc-4-methylpyridine?
Yes, KEHONG BIO provides custom synthesis services for NeuNAc-4-methylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.