Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate
TL;DR: Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate (CAS 71511-66-5) is a chemical compound with molecular formula C17H20ClN2O5P and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]-4-nitroaniline
Also Known As: ChemDiv1_020566, J1.998.280G, Diethyl 4-chloro-a-(4-nitroanilino)benzylphosphonate, DIETHYL [(4-CHLOROPHENYL)[(4-NITROPHENYL)AMINO]METHYL]PHOSPHONATE, Diethyl (4-chlorophenyl)(4-nitroanilino)methylphosphonate
| Molecular Formula | C17H20ClN2O5P |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.07983 |
| Heavy Atoms | 26 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 71511-66-5 |
|---|---|
| SMILES | CCOP(=O)(C(C1=CC=C(C=C1)Cl)NC2=CC=C(C=C2)[N+](=O)[O-])OCC |
| InChIKey | MXVAWSJYPGJSHV-UHFFFAOYSA-N |
Product Overview
Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate (CAS 71511-66-5), with molecular formula C17H20ClN2O5P and molecular weight 398.08 g/mol. IUPAC: N-[(4-chlorophenyl)-diethoxyphosphorylmethyl]-4-nitroaniline.
Chemical Property Profile of Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate
Property Insights of Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate
The XLogP value of 4.0 indicates that Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate 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 P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate. Following Lipinski's Rule of Five, Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate 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 P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate?
The CAS number of Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate is 71511-66-5.
What is the molecular formula of Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate?
The molecular formula of Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate is C17H20ClN2O5P.
What is the molecular weight of Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate?
The molecular weight of Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate is 398.08 g/mol.
Where can I buy Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate?
You can request a quote for Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl P-((4-chlorophenyl)((4-nitrophenyl)amino)methyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.