Dimethyl 3-nitro-phenyl phosphate
TL;DR: Dimethyl 3-nitro-phenyl phosphate (CAS 4532-05-2) is a chemical compound with molecular formula C8H10NO6P and molecular weight 247.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl (3-nitrophenyl) phosphate
Also Known As: Dimethyl 3-nitro-phenyl phosphate, dimethyl (3-nitrophenyl) phosphate, dimethyl 3-nitrophenyl phosphate, Phosphoric acid dimethyl 3-nitrophenyl ester, Phosphoric acid dimethyl(3-nitrophenyl) ester
| Molecular Formula | C8H10NO6P |
|---|---|
| Molecular Weight | 247.02 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.02457 |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 4532-05-2 |
|---|---|
| SMILES | COP(=O)(OC)OC1=CC=CC(=C1)[N+](=O)[O-] |
| InChIKey | WVAUFDIKPLFXQL-UHFFFAOYSA-N |
Product Overview
Dimethyl 3-nitro-phenyl phosphate (CAS 4532-05-2), with molecular formula C8H10NO6P and molecular weight 247.02 g/mol. IUPAC: dimethyl (3-nitrophenyl) phosphate.
Chemical Property Profile of Dimethyl 3-nitro-phenyl phosphate
Property Insights of Dimethyl 3-nitro-phenyl phosphate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-nitro-phenyl phosphate. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3-nitro-phenyl phosphate. Following Lipinski's Rule of Five, Dimethyl 3-nitro-phenyl 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 Dimethyl 3-nitro-phenyl phosphate?
The CAS number of Dimethyl 3-nitro-phenyl phosphate is 4532-05-2.
What is the molecular formula of Dimethyl 3-nitro-phenyl phosphate?
The molecular formula of Dimethyl 3-nitro-phenyl phosphate is C8H10NO6P.
What is the molecular weight of Dimethyl 3-nitro-phenyl phosphate?
The molecular weight of Dimethyl 3-nitro-phenyl phosphate is 247.02 g/mol.
Where can I buy Dimethyl 3-nitro-phenyl phosphate?
You can request a quote for Dimethyl 3-nitro-phenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-nitro-phenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-nitro-phenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.