Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester
TL;DR: Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester (CAS 141380-75-8) is a chemical compound with molecular formula C15H17N2O5P and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[dimethoxyphosphoryl-(4-nitrophenyl)methyl]aniline
Also Known As: N-[dimethoxyphosphoryl-(4-nitrophenyl)methyl]aniline, dimethyl [(4-nitrophenyl)(phenylamino)methyl]phosphonate, Dimethyl [anilino(4-nitrophenyl)methyl]phosphonate, Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester, alpha-Anilino-4-nitrobenzylphosphonic acid dimethyl ester
| Molecular Formula | C15H17N2O5P |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 4.1914 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.0875 |
| Heavy Atoms | 23 |
| Complexity | 697.567 |
Chemical Identifiers
| CAS Number | 141380-75-8 |
|---|---|
| SMILES | COP(=O)(C(C1=CC=C(C=C1)[N+](=O)[O-])NC2=CC=CC=C2)OC |
Product Overview
Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester (CAS 141380-75-8), with molecular formula C15H17N2O5P and molecular weight 336.09 g/mol. IUPAC: N-[dimethoxyphosphoryl-(4-nitrophenyl)methyl]aniline.
Chemical Property Profile of Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester
Property Insights of Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester
The XLogP value of 4.1914 indicates that Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester. Following Lipinski's Rule of Five, Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester 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 Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester?
The CAS number of Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester is 141380-75-8.
What is the molecular formula of Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester?
The molecular formula of Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester is C15H17N2O5P.
What is the molecular weight of Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester?
The molecular weight of Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester is 336.09 g/mol.
Where can I buy Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester?
You can request a quote for Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonic acid, [(4-nitrophenyl)(phenylamino)methyl]-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.