Dimethyl (4-nitrophenyl)methyl phosphate
TL;DR: Dimethyl (4-nitrophenyl)methyl phosphate (CAS 1566-19-4) is a chemical compound with molecular formula C9H12NO6P and molecular weight 261.04022 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl (4-nitrophenyl)methyl phosphate
Also Known As: H.C. 2070 Bis, Dimethyl p-nitrobenzyl phosphate, 2070 Bis H.C., Phosphoric acid, dimethyl p-nitrobenzyl ester, 2070 Bis H.C
Technical Specifications
| Molecular Formula | C9H12NO6P |
| Molecular Weight | 261.04022 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 261.04022 Da |
| Heavy Atoms | 17 |
| Complexity | 288.0 |
| SMILES | COP(=O)(OC)OCC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | CEWQCMRRUPXVRJ-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl (4-nitrophenyl)methyl phosphate
Property Insights of Dimethyl (4-nitrophenyl)methyl phosphate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (4-nitrophenyl)methyl phosphate. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl (4-nitrophenyl)methyl phosphate. Following Lipinski's Rule of Five, Dimethyl (4-nitrophenyl)methyl 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
What is the CAS number of Dimethyl (4-nitrophenyl)methyl phosphate?
The CAS number of Dimethyl (4-nitrophenyl)methyl phosphate is 1566-19-4.
What is the molecular formula of Dimethyl (4-nitrophenyl)methyl phosphate?
The molecular formula of Dimethyl (4-nitrophenyl)methyl phosphate is C9H12NO6P.
What is the molecular weight of Dimethyl (4-nitrophenyl)methyl phosphate?
The molecular weight of Dimethyl (4-nitrophenyl)methyl phosphate is 261.04022 g/mol.
Where can I buy Dimethyl (4-nitrophenyl)methyl phosphate?
You can request a quote for Dimethyl (4-nitrophenyl)methyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl (4-nitrophenyl)methyl phosphate?
Yes, CoreyChem provides custom synthesis services for Dimethyl (4-nitrophenyl)methyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.