Diethyl (4-chloro-2-nitroanilino)methylphosphonate
TL;DR: Diethyl (4-chloro-2-nitroanilino)methylphosphonate (CAS 193698-88-3) is a chemical compound with molecular formula C11H16ClN2O5P and molecular weight 322.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(diethoxyphosphorylmethyl)-2-nitroaniline
Also Known As: Diethyl (4-chloro-2-nitroanilino)methylphosphonate, 4-chloro-N-(diethoxyphosphorylmethyl)-2-nitroaniline, Diethyl [(4-chloro-2-nitroanilino)methyl]phosphonate, diethyl [(4-chloro-2-nitrophenyl)amino]methylphosphonate, Phosphonic acid,[[(4-chloro-2-nitrophenyl)amino]methyl]-, diethyl ester (9CI)
| Molecular Formula | C11H16ClN2O5P |
|---|---|
| Molecular Weight | 322.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 322.04852 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 193698-88-3 |
|---|---|
| SMILES | CCOP(=O)(CNC1=C(C=C(C=C1)Cl)[N+](=O)[O-])OCC |
| InChIKey | QLWBKMAVIJATAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (4-chloro-2-nitroanilino)methylphosphonate (CAS 193698-88-3), with molecular formula C11H16ClN2O5P and molecular weight 322.05 g/mol. IUPAC: 4-chloro-N-(diethoxyphosphorylmethyl)-2-nitroaniline.
Chemical Property Profile of Diethyl (4-chloro-2-nitroanilino)methylphosphonate
Property Insights of Diethyl (4-chloro-2-nitroanilino)methylphosphonate
The XLogP value of 3.0 indicates that Diethyl (4-chloro-2-nitroanilino)methylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl (4-chloro-2-nitroanilino)methylphosphonate. Following Lipinski's Rule of Five, Diethyl (4-chloro-2-nitroanilino)methylphosphonate has 1 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 (4-chloro-2-nitroanilino)methylphosphonate?
The CAS number of Diethyl (4-chloro-2-nitroanilino)methylphosphonate is 193698-88-3.
What is the molecular formula of Diethyl (4-chloro-2-nitroanilino)methylphosphonate?
The molecular formula of Diethyl (4-chloro-2-nitroanilino)methylphosphonate is C11H16ClN2O5P.
What is the molecular weight of Diethyl (4-chloro-2-nitroanilino)methylphosphonate?
The molecular weight of Diethyl (4-chloro-2-nitroanilino)methylphosphonate is 322.05 g/mol.
Where can I buy Diethyl (4-chloro-2-nitroanilino)methylphosphonate?
You can request a quote for Diethyl (4-chloro-2-nitroanilino)methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (4-chloro-2-nitroanilino)methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (4-chloro-2-nitroanilino)methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.