Diethyl 3-ethyl-4-nitrophenyl phosphate
TL;DR: Diethyl 3-ethyl-4-nitrophenyl phosphate (CAS 14180-63-3) is a chemical compound with molecular formula C12H18NO6P and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (3-ethyl-4-nitrophenyl) phosphate
Also Known As: diethyl 3-ethyl-4-nitrophenyl phosphate, diethyl (3-ethyl-4-nitrophenyl) phosphate, Phosphoric acid,diethyl 3-ethyl-4-nitrophenyl ester (8CI)
| Molecular Formula | C12H18NO6P |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.0872 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 14180-63-3 |
|---|---|
| SMILES | CCC1=C(C=CC(=C1)OP(=O)(OCC)OCC)[N+](=O)[O-] |
| InChIKey | IMPRGJFTSVZFMH-UHFFFAOYSA-N |
Product Overview
Diethyl 3-ethyl-4-nitrophenyl phosphate (CAS 14180-63-3), with molecular formula C12H18NO6P and molecular weight 303.09 g/mol. IUPAC: diethyl (3-ethyl-4-nitrophenyl) phosphate.
Chemical Property Profile of Diethyl 3-ethyl-4-nitrophenyl phosphate
Property Insights of Diethyl 3-ethyl-4-nitrophenyl phosphate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-ethyl-4-nitrophenyl phosphate. The TPSA of 90.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-ethyl-4-nitrophenyl phosphate. Following Lipinski's Rule of Five, Diethyl 3-ethyl-4-nitrophenyl 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 Diethyl 3-ethyl-4-nitrophenyl phosphate?
The CAS number of Diethyl 3-ethyl-4-nitrophenyl phosphate is 14180-63-3.
What is the molecular formula of Diethyl 3-ethyl-4-nitrophenyl phosphate?
The molecular formula of Diethyl 3-ethyl-4-nitrophenyl phosphate is C12H18NO6P.
What is the molecular weight of Diethyl 3-ethyl-4-nitrophenyl phosphate?
The molecular weight of Diethyl 3-ethyl-4-nitrophenyl phosphate is 303.09 g/mol.
Where can I buy Diethyl 3-ethyl-4-nitrophenyl phosphate?
You can request a quote for Diethyl 3-ethyl-4-nitrophenyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-ethyl-4-nitrophenyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-ethyl-4-nitrophenyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.