O-Ethyl O-4-nitrophenyl phenylphosphonate
TL;DR: O-Ethyl O-4-nitrophenyl phenylphosphonate (CAS 2012-00-2) is a chemical compound with molecular formula C14H14NO5P and molecular weight 307.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(phenyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: Epn oxon, EPN-oxon, EPNO, EPNOXON, O-Ethyl O-4-nitrophenyl phenylphosphonate
| Molecular Formula | C14H14NO5P |
|---|---|
| Molecular Weight | 307.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.06097 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 2012-00-2 |
|---|---|
| SMILES | CCOP(=O)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | PDABPGQGULTJFY-UHFFFAOYSA-N |
Product Overview
O-Ethyl O-4-nitrophenyl phenylphosphonate (CAS 2012-00-2), with molecular formula C14H14NO5P and molecular weight 307.06 g/mol. IUPAC: 1-[ethoxy(phenyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of O-Ethyl O-4-nitrophenyl phenylphosphonate
Property Insights of O-Ethyl O-4-nitrophenyl phenylphosphonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Ethyl O-4-nitrophenyl phenylphosphonate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl O-4-nitrophenyl phenylphosphonate. Following Lipinski's Rule of Five, O-Ethyl O-4-nitrophenyl phenylphosphonate has 0 hydrogen bond donor(s) and 5 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 O-Ethyl O-4-nitrophenyl phenylphosphonate?
The CAS number of O-Ethyl O-4-nitrophenyl phenylphosphonate is 2012-00-2.
What is the molecular formula of O-Ethyl O-4-nitrophenyl phenylphosphonate?
The molecular formula of O-Ethyl O-4-nitrophenyl phenylphosphonate is C14H14NO5P.
What is the molecular weight of O-Ethyl O-4-nitrophenyl phenylphosphonate?
The molecular weight of O-Ethyl O-4-nitrophenyl phenylphosphonate is 307.06 g/mol.
Where can I buy O-Ethyl O-4-nitrophenyl phenylphosphonate?
You can request a quote for O-Ethyl O-4-nitrophenyl phenylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl O-4-nitrophenyl phenylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl O-4-nitrophenyl phenylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.