2-((Diphenylphosphoryl)methyl)pyridine 1-oxide
TL;DR: 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide (CAS 134576-22-0) is a chemical compound with molecular formula C18H16NO2P and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diphenylphosphorylmethyl)-1-oxidopyridin-1-ium
Also Known As: 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide, BIM-0008975.P001, 2-(Diphenylphosphinylmethyl)pyridine 1-oxide, 2-(diphenylphosphorylmethyl)-1-oxidopyridin-1-ium, J1.754.518C
| Molecular Formula | C18H16NO2P |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.09186 |
| Heavy Atoms | 22 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 134576-22-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)P(=O)(CC2=CC=CC=[N+]2[O-])C3=CC=CC=C3 |
| InChIKey | FJBCXHIEFHPWSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((Diphenylphosphoryl)methyl)pyridine 1-oxide (CAS 134576-22-0), with molecular formula C18H16NO2P and molecular weight 309.09 g/mol. IUPAC: 2-(diphenylphosphorylmethyl)-1-oxidopyridin-1-ium.
Chemical Property Profile of 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide
Property Insights of 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide. With a topological polar surface area (TPSA) of 42.5 Ų, 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide has 0 hydrogen bond donor(s) and 2 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 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide?
The CAS number of 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide is 134576-22-0.
What is the molecular formula of 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide?
The molecular formula of 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide is C18H16NO2P.
What is the molecular weight of 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide?
The molecular weight of 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide is 309.09 g/mol.
Where can I buy 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide?
You can request a quote for 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-((Diphenylphosphoryl)methyl)pyridine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.