Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester
TL;DR: Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester (CAS 66558-68-7) is a chemical compound with molecular formula C9H12NO7P and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(hydroxymethyl)-4-nitrophenyl] dimethyl phosphate
Also Known As: 3-Hydroxymethylfenitrooxon, Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester, 3-(hydroxymethyl)-4-nitrophenyl dimethyl phosphate, [3-(hydroxymethyl)-4-nitrophenyl] dimethyl phosphate, Phosphoric acid dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester
| Molecular Formula | C9H12NO7P |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.03513 |
| Heavy Atoms | 18 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 66558-68-7 |
|---|---|
| SMILES | COP(=O)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])CO |
| InChIKey | QLDUEURVTDFMLW-UHFFFAOYSA-N |
Product Overview
Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester (CAS 66558-68-7), with molecular formula C9H12NO7P and molecular weight 277.04 g/mol. IUPAC: [3-(hydroxymethyl)-4-nitrophenyl] dimethyl phosphate.
Chemical Property Profile of Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester
Property Insights of Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester has 1 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, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester?
The CAS number of Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester is 66558-68-7.
What is the molecular formula of Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester?
The molecular formula of Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester is C9H12NO7P.
What is the molecular weight of Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester?
The molecular weight of Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester is 277.04 g/mol.
Where can I buy Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester?
You can request a quote for Phosphoric acid, dimethyl 3-(hydroxymethyl)-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, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoric acid, dimethyl 3-(hydroxymethyl)-4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.