Bis(1-methylethyl) 4-nitrophenyl phosphate
TL;DR: Bis(1-methylethyl) 4-nitrophenyl phosphate (CAS 3254-66-8) is a chemical compound with molecular formula C12H18NO6P and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) dipropan-2-yl phosphate
Also Known As: Diisopropyl paraoxon, Mioticol, Propicol, Isopropyl paraoxon, Paraoxon,diisopropyl
| Molecular Formula | C12H18NO6P |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 303.0872 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 3254-66-8 |
|---|---|
| SMILES | CC(C)OP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C |
| InChIKey | SHMLKFTUAKLHHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(1-methylethyl) 4-nitrophenyl phosphate (CAS 3254-66-8), with molecular formula C12H18NO6P and molecular weight 303.09 g/mol. IUPAC: (4-nitrophenyl) dipropan-2-yl phosphate.
Chemical Property Profile of Bis(1-methylethyl) 4-nitrophenyl phosphate
Property Insights of Bis(1-methylethyl) 4-nitrophenyl phosphate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(1-methylethyl) 4-nitrophenyl phosphate. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(1-methylethyl) 4-nitrophenyl phosphate. Following Lipinski's Rule of Five, Bis(1-methylethyl) 4-nitrophenyl phosphate 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 Bis(1-methylethyl) 4-nitrophenyl phosphate?
The CAS number of Bis(1-methylethyl) 4-nitrophenyl phosphate is 3254-66-8.
What is the molecular formula of Bis(1-methylethyl) 4-nitrophenyl phosphate?
The molecular formula of Bis(1-methylethyl) 4-nitrophenyl phosphate is C12H18NO6P.
What is the molecular weight of Bis(1-methylethyl) 4-nitrophenyl phosphate?
The molecular weight of Bis(1-methylethyl) 4-nitrophenyl phosphate is 303.09 g/mol.
Where can I buy Bis(1-methylethyl) 4-nitrophenyl phosphate?
You can request a quote for Bis(1-methylethyl) 4-nitrophenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1-methylethyl) 4-nitrophenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Bis(1-methylethyl) 4-nitrophenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.