NeuNAc-3,4-dimethylpyridine
TL;DR: NeuNAc-3,4-dimethylpyridine (CAS 300595-03-3) is a chemical compound with molecular formula C18H26N2O8 and molecular weight 398.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Also Known As: NeuNAc-3,4-dimethylpyridine, (2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate, Pyridinium, 1-(N-acetyl-alpha-neuraminosyl)-3,4-dimethyl-, inner salt (9CI)
| Molecular Formula | C18H26N2O8 |
|---|---|
| Molecular Weight | 398.17 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.1689 |
| Heavy Atoms | 28 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 300595-03-3 |
|---|---|
| SMILES | CC1=C(C=[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-])C |
| InChIKey | VEXPPGMPBIXGQK-DGYIVEFISA-N |
Product Overview
NeuNAc-3,4-dimethylpyridine (CAS 300595-03-3), with molecular formula C18H26N2O8 and molecular weight 398.17 g/mol. IUPAC: (2R,4S,5R,6R)-5-acetamido-2-(3,4-dimethylpyridin-1-ium-1-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate.
Chemical Property Profile of NeuNAc-3,4-dimethylpyridine
Property Insights of NeuNAc-3,4-dimethylpyridine
The XLogP value of -0.5 indicates that NeuNAc-3,4-dimethylpyridine 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-3,4-dimethylpyridine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NeuNAc-3,4-dimethylpyridine 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-3,4-dimethylpyridine?
The CAS number of NeuNAc-3,4-dimethylpyridine is 300595-03-3.
What is the molecular formula of NeuNAc-3,4-dimethylpyridine?
The molecular formula of NeuNAc-3,4-dimethylpyridine is C18H26N2O8.
What is the molecular weight of NeuNAc-3,4-dimethylpyridine?
The molecular weight of NeuNAc-3,4-dimethylpyridine is 398.17 g/mol.
Where can I buy NeuNAc-3,4-dimethylpyridine?
You can request a quote for NeuNAc-3,4-dimethylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NeuNAc-3,4-dimethylpyridine?
Yes, KEHONG BIO provides custom synthesis services for NeuNAc-3,4-dimethylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.