Pyridoxine aspartate
TL;DR: Pyridoxine aspartate (CAS 95468-91-0) is a chemical compound with molecular formula C12H18N2O7 and molecular weight 302.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-aminobutanedioic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
Also Known As: Pyridoxine aspartate, Aspartate de pyridoxine, Aspartate de pyridoxine [French], L-Aspartic acid, compd. with 5-hydroxy-6-methyl-3,4-pyridinedimethanol (1:1), 3,4-Pyridinedimethanol, 5-hydroxy-6-methyl-, L-aspartate (1:1) (salt)
| Molecular Formula | C12H18N2O7 |
|---|---|
| Molecular Weight | 302.11 g/mol |
| LogP | -1.05 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1114 |
| Heavy Atoms | 21 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 95468-91-0 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CO)CO.C([C@H](C(=O)O)N)C(=O)O |
| InChIKey | GZIJVBKRKQPECN-ARGLLVQISA-N |
Product Overview
Pyridoxine aspartate (CAS 95468-91-0), with molecular formula C12H18N2O7 and molecular weight 302.11 g/mol. IUPAC: (2R)-2-aminobutanedioic acid;4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol.
Chemical Property Profile of Pyridoxine aspartate
Property Insights of Pyridoxine aspartate
The XLogP value of -1.05 indicates that Pyridoxine aspartate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 174.0 Ų indicates high polarity, suggesting Pyridoxine aspartate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyridoxine aspartate 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 Pyridoxine aspartate?
The CAS number of Pyridoxine aspartate is 95468-91-0.
What is the molecular formula of Pyridoxine aspartate?
The molecular formula of Pyridoxine aspartate is C12H18N2O7.
What is the molecular weight of Pyridoxine aspartate?
The molecular weight of Pyridoxine aspartate is 302.11 g/mol.
Where can I buy Pyridoxine aspartate?
You can request a quote for Pyridoxine aspartate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridoxine aspartate?
Yes, KEHONG BIO provides custom synthesis services for Pyridoxine aspartate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.