1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate
TL;DR: 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate (CAS 81051-35-6) is a chemical compound with molecular formula C23H42NO6P and molecular weight 459.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-dodecoxyethoxy)ethyl 2-(4-oxo-3H-pyridin-1-ium-1-yl)ethyl phosphite
Also Known As: CO2 radical anion, DEPEP, KST-1B8910, 1-(4-oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate, 2-(2-dodecoxyethoxy)ethyl 2-(4-oxo-3H-pyridin-1-ium-1-yl)ethyl phosphite
| Molecular Formula | C23H42NO6P |
|---|---|
| Molecular Weight | 459.27 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Exact Mass | 459.27496 |
| Heavy Atoms | 31 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 81051-35-6 |
|---|---|
| SMILES | CCCCCCCCCCCCOCCOCCOP([O-])OCC[N+]1=CCC(=O)C=C1 |
| InChIKey | JHTGIEJZDOSLEJ-UHFFFAOYSA-N |
Product Overview
1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate (CAS 81051-35-6), with molecular formula C23H42NO6P and molecular weight 459.27 g/mol. IUPAC: 2-(2-dodecoxyethoxy)ethyl 2-(4-oxo-3H-pyridin-1-ium-1-yl)ethyl phosphite.
Chemical Property Profile of 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate
Property Insights of 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate
The XLogP value of 4.0 indicates that 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate. Following Lipinski's Rule of Five, 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate has 0 hydrogen bond donor(s) and 6 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 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate?
The CAS number of 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate is 81051-35-6.
What is the molecular formula of 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate?
The molecular formula of 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate is C23H42NO6P.
What is the molecular weight of 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate?
The molecular weight of 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate is 459.27 g/mol.
Where can I buy 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate?
You can request a quote for 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Oxo-3,4-dihydropyridinium-1-yl)-3,5,8,11-tetraoxa-4-phosphatricosan-4-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.