Pyridoxine 4,5-dicaprylate
TL;DR: Pyridoxine 4,5-dicaprylate (CAS 749-99-5) is a chemical compound with molecular formula C24H39NO5 and molecular weight 421.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(hydroxymethyl)-2-methyl-3-octanoyloxy-4-pyridinyl]methyl octanoate
Also Known As: Pyridoxine 4,5-dicaprylate, Pyridoxol 4,5-dioctanoate, PYRIDOXINE 4,5-DIOCTANOATE, Pyridoxine 3,4 -dioctanoate, PYRIDOXOL, 4,5-DIOCTANOATE
| Molecular Formula | C24H39NO5 |
|---|---|
| Molecular Weight | 421.28 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 421.28284 |
| Heavy Atoms | 30 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 749-99-5 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC1=C(C(=NC=C1CO)C)OC(=O)CCCCCCC |
| InChIKey | IVCPRWHRGQGMPM-UHFFFAOYSA-N |
Product Overview
Pyridoxine 4,5-dicaprylate (CAS 749-99-5), with molecular formula C24H39NO5 and molecular weight 421.28 g/mol. IUPAC: [5-(hydroxymethyl)-2-methyl-3-octanoyloxy-4-pyridinyl]methyl octanoate.
Chemical Property Profile of Pyridoxine 4,5-dicaprylate
Property Insights of Pyridoxine 4,5-dicaprylate
The XLogP value of 5.8 indicates that Pyridoxine 4,5-dicaprylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridoxine 4,5-dicaprylate. Following Lipinski's Rule of Five, Pyridoxine 4,5-dicaprylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyridoxine 4,5-dicaprylate?
The CAS number of Pyridoxine 4,5-dicaprylate is 749-99-5.
What is the molecular formula of Pyridoxine 4,5-dicaprylate?
The molecular formula of Pyridoxine 4,5-dicaprylate is C24H39NO5.
What is the molecular weight of Pyridoxine 4,5-dicaprylate?
The molecular weight of Pyridoxine 4,5-dicaprylate is 421.28 g/mol.
Where can I buy Pyridoxine 4,5-dicaprylate?
You can request a quote for Pyridoxine 4,5-dicaprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridoxine 4,5-dicaprylate?
Yes, KEHONG BIO provides custom synthesis services for Pyridoxine 4,5-dicaprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.