Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester
TL;DR: Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester (CAS 13074-11-8) is a chemical compound with molecular formula C11H16NO6P and molecular weight 289.07153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl (4-nitro-3-propan-2-ylphenyl) phosphate
Also Known As: Dimethyl 3-isopropyl-4-nitrophenyl phosphate, dimethyl (4-nitro-3-propan-2-ylphenyl) phosphate, Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester, 3-isopropyl-4-nitrophenyl dimethyl phosphate, dimethyl 4-nitro-3-(propan-2-yl)phenyl phosphate
Technical Specifications
| Molecular Formula | C11H16NO6P |
| Molecular Weight | 289.07153 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.07153 Da |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
| SMILES | CC(C)C1=C(C=CC(=C1)OP(=O)(OC)OC)[N+](=O)[O-] |
| InChIKey | FFXJBGZEAHBHCF-UHFFFAOYSA-N |
Chemical Property Profile of Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester
Property Insights of Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester 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 Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester?
The CAS number of Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester is 13074-11-8.
What is the molecular formula of Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester?
The molecular formula of Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester is C11H16NO6P.
What is the molecular weight of Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester?
The molecular weight of Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester is 289.07153 g/mol.
Where can I buy Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester?
You can request a quote for Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester?
Yes, CoreyChem provides custom synthesis services for Phosphoric acid, dimethyl 3-isopropyl-4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.