5-O-Benzoyl pyridoxine
TL;DR: 5-O-Benzoyl pyridoxine (CAS 80503-44-2) 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.
[4,5-bis(hydroxymethyl)-2-methyl-3-pyridinyl] benzoate
Also Known As: 5-O-Benzoyl pyridoxine, Pyridoxine 5-benzoic acid ester, alpha(5)-O-Benzoyl pyridoxine, 3,4-Pyridinedimethanol, 5-(benzoyloxy)-6-methyl-, 3,4-pyridinedimethanol,5-6-methyl-
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 1.3 |
| 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 | 80503-44-2 |
|---|---|
| SMILES | CC1=NC=C(C(=C1OC(=O)C2=CC=CC=C2)CO)CO |
| InChIKey | BLFFHRCQTXLMDE-UHFFFAOYSA-N |
Product Overview
5-O-Benzoyl pyridoxine (CAS 80503-44-2), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: [4,5-bis(hydroxymethyl)-2-methyl-3-pyridinyl] benzoate.
Chemical Property Profile of 5-O-Benzoyl pyridoxine
Property Insights of 5-O-Benzoyl pyridoxine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-O-Benzoyl pyridoxine. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-O-Benzoyl pyridoxine. Following Lipinski's Rule of Five, 5-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 5-O-Benzoyl pyridoxine?
The CAS number of 5-O-Benzoyl pyridoxine is 80503-44-2.
What is the molecular formula of 5-O-Benzoyl pyridoxine?
The molecular formula of 5-O-Benzoyl pyridoxine is C15H15NO4.
What is the molecular weight of 5-O-Benzoyl pyridoxine?
The molecular weight of 5-O-Benzoyl pyridoxine is 273.10 g/mol.
Where can I buy 5-O-Benzoyl pyridoxine?
You can request a quote for 5-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 5-O-Benzoyl pyridoxine?
Yes, KEHONG BIO provides custom synthesis services for 5-O-Benzoyl pyridoxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.