Pyridoxal phosphonate
TL;DR: Pyridoxal phosphonate (CAS 32453-95-5) is a chemical compound with molecular formula C9H14NO4P and molecular weight 231.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)ethylphosphonic acid
Also Known As: Pyridoxal phosphonate, 4-Desoxypyridoxine phosphonate, 2-(5-hydroxy-4,6-dimethylpyridin-3-yl)ethylphosphonic acid, [2-(5-hydroxy-4,6-dimethylpyridin-3-yl)ethyl]phosphonic acid, (2-(5-Hydroxy-4,6-dimethyl-3-pyridyl)ethyl)phosphonic acid
| Molecular Formula | C9H14NO4P |
|---|---|
| Molecular Weight | 231.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.06604 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 32453-95-5 |
|---|---|
| SMILES | CC1=C(C(=NC=C1CCP(=O)(O)O)C)O |
| InChIKey | NNGJPVFQBGMJTQ-UHFFFAOYSA-N |
Product Overview
Pyridoxal phosphonate (CAS 32453-95-5), with molecular formula C9H14NO4P and molecular weight 231.07 g/mol. IUPAC: 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)ethylphosphonic acid.
Chemical Property Profile of Pyridoxal phosphonate
Property Insights of Pyridoxal phosphonate
The XLogP value of -0.3 indicates that Pyridoxal phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridoxal phosphonate. Following Lipinski's Rule of Five, Pyridoxal phosphonate has 3 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 Pyridoxal phosphonate?
The CAS number of Pyridoxal phosphonate is 32453-95-5.
What is the molecular formula of Pyridoxal phosphonate?
The molecular formula of Pyridoxal phosphonate is C9H14NO4P.
What is the molecular weight of Pyridoxal phosphonate?
The molecular weight of Pyridoxal phosphonate is 231.07 g/mol.
Where can I buy Pyridoxal phosphonate?
You can request a quote for Pyridoxal phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridoxal phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Pyridoxal phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.