4-O-benzoyl pyridoxine
TL;DR: 4-O-benzoyl pyridoxine (CAS 5223-10-9) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl benzoate
Also Known As: 4-O-Benzoyl pyridoxine, Pyridoxol-4-benzoate, Pyridoxine 4-benzoic acid ester, alpha(4)-O-Benzoyl pyridoxine, [3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl benzoate
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 5223-10-9 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)COC(=O)C2=CC=CC=C2)CO |
| InChIKey | VYPDKSKLULNJPO-UHFFFAOYSA-N |
Product Overview
4-O-benzoyl pyridoxine (CAS 5223-10-9), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: [3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl benzoate.
Chemical Property Profile of 4-O-benzoyl pyridoxine
Property Insights of 4-O-benzoyl pyridoxine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-benzoyl pyridoxine. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-O-benzoyl pyridoxine. Following Lipinski's Rule of Five, 4-O-benzoyl pyridoxine has 2 hydrogen bond donor(s) and 5 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 4-O-benzoyl pyridoxine?
The CAS number of 4-O-benzoyl pyridoxine is 5223-10-9.
What is the molecular formula of 4-O-benzoyl pyridoxine?
The molecular formula of 4-O-benzoyl pyridoxine is C15H15NO4.
What is the molecular weight of 4-O-benzoyl pyridoxine?
The molecular weight of 4-O-benzoyl pyridoxine is 273.10 g/mol.
Where can I buy 4-O-benzoyl pyridoxine?
You can request a quote for 4-O-benzoyl pyridoxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-O-benzoyl pyridoxine?
Yes, KEHONG BIO provides custom synthesis services for 4-O-benzoyl pyridoxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.