![N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline structure](/static/products/164/164362-76-9.png)
N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline
TL;DR: N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline (CAS 164362-76-9) is a chemical compound with molecular formula C17H21FNO3P and molecular weight 337.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoroaniline
Also Known As: NCI60_027207, J2.324.854I, N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoroaniline, Diethyl (4-fluoroanilino)(phenyl)methylphosphonate, diethyl {[(4-fluorophenyl)amino](phenyl)methyl}phosphonate
| Molecular Formula | C17H21FNO3P |
|---|---|
| Molecular Weight | 337.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 337.1243 |
| Heavy Atoms | 23 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 164362-76-9 |
|---|---|
| SMILES | CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)F)OCC |
| InChIKey | UJIFTMKGZMKICP-UHFFFAOYSA-N |
Product Overview
N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline (CAS 164362-76-9), with molecular formula C17H21FNO3P and molecular weight 337.12 g/mol. IUPAC: N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoroaniline.
Chemical Property Profile of N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline
Property Insights of N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline
The XLogP value of 3.6 indicates that N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline has 1 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 N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline?
The CAS number of N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline is 164362-76-9.
What is the molecular formula of N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline?
The molecular formula of N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline is C17H21FNO3P.
What is the molecular weight of N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline?
The molecular weight of N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline is 337.12 g/mol.
Where can I buy N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline?
You can request a quote for N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[diethoxyphosphoryl(phenyl)methyl]-4-fluoro-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.