Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester
TL;DR: Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester (CAS 59417-74-2) is a chemical compound with molecular formula C9H10NO7P and molecular weight 275.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-formyl-4-nitrophenyl) dimethyl phosphate
Also Known As: Formylfenitrooxon, 3-Formylfenitrooxon, 3-formyl-4-nitrophenyl dimethyl phosphate, (3-formyl-4-nitrophenyl) dimethyl phosphate, Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester
| Molecular Formula | C9H10NO7P |
|---|---|
| Molecular Weight | 275.02 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.0195 |
| Heavy Atoms | 18 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 59417-74-2 |
|---|---|
| SMILES | COP(=O)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])C=O |
| InChIKey | LWBMSPJWOIABDR-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester (CAS 59417-74-2), with molecular formula C9H10NO7P and molecular weight 275.02 g/mol. IUPAC: (3-formyl-4-nitrophenyl) dimethyl phosphate.
Chemical Property Profile of Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester
Property Insights of Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester has 0 hydrogen bond donor(s) and 7 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 Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester?
The CAS number of Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester is 59417-74-2.
What is the molecular formula of Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester?
The molecular formula of Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester is C9H10NO7P.
What is the molecular weight of Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester?
The molecular weight of Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester is 275.02 g/mol.
Where can I buy Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester?
You can request a quote for Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, (O,O-dimethyl) O-(3-formyl-4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.