Ethyl 4-nitrophenyl methylphosphonate
TL;DR: Ethyl 4-nitrophenyl methylphosphonate (CAS 3735-98-6) is a chemical compound with molecular formula C9H12NO5P and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(methyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: EPMP, Ethyl 4-nitrophenyl methylphosphonate, Ethyl para-nitrophenyl methylphosphonate, 4-nitrophenyl ethyl methylphosphonate, ethyl (4-nitrophenyl) methylphosphonate
| Molecular Formula | C9H12NO5P |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.0453 |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 3735-98-6 |
|---|---|
| SMILES | CCOP(=O)(C)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | BARJAAQSDSOQEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-nitrophenyl methylphosphonate (CAS 3735-98-6), with molecular formula C9H12NO5P and molecular weight 245.05 g/mol. IUPAC: 1-[ethoxy(methyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Ethyl 4-nitrophenyl methylphosphonate
Property Insights of Ethyl 4-nitrophenyl methylphosphonate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitrophenyl methylphosphonate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitrophenyl methylphosphonate. Following Lipinski's Rule of Five, Ethyl 4-nitrophenyl methylphosphonate 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 Ethyl 4-nitrophenyl methylphosphonate?
The CAS number of Ethyl 4-nitrophenyl methylphosphonate is 3735-98-6.
What is the molecular formula of Ethyl 4-nitrophenyl methylphosphonate?
The molecular formula of Ethyl 4-nitrophenyl methylphosphonate is C9H12NO5P.
What is the molecular weight of Ethyl 4-nitrophenyl methylphosphonate?
The molecular weight of Ethyl 4-nitrophenyl methylphosphonate is 245.05 g/mol.
Where can I buy Ethyl 4-nitrophenyl methylphosphonate?
You can request a quote for Ethyl 4-nitrophenyl methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-nitrophenyl methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitrophenyl methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.