![3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline structure](/static/products/491/491597-52-5.png)
3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline
TL;DR: 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline (CAS 491597-52-5) is a chemical compound with molecular formula C13H12ClFNO2P and molecular weight 299.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline
Also Known As: BAS 00312957, phenyl N-(3-chloro-4-fluorophenyl)-P-methylphosphonamidoate, 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline, [(3-chloro-4-fluorophenyl)amino]methylphenoxyphosphino-1-one
| Molecular Formula | C13H12ClFNO2P |
|---|---|
| Molecular Weight | 299.03 g/mol |
| LogP | 4.7929 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.02783 |
| Heavy Atoms | 19 |
| Complexity | 621.2952 |
Chemical Identifiers
| CAS Number | 491597-52-5 |
|---|---|
| SMILES | CP(=O)(NC1=CC(=C(C=C1)F)Cl)OC2=CC=CC=C2 |
Product Overview
3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline (CAS 491597-52-5), with molecular formula C13H12ClFNO2P and molecular weight 299.03 g/mol. IUPAC: 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline.
Chemical Property Profile of 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline
Property Insights of 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline
The XLogP value of 4.7929 indicates that 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline has 1 hydrogen bond donor(s) and 2 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 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline?
The CAS number of 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline is 491597-52-5.
What is the molecular formula of 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline?
The molecular formula of 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline is C13H12ClFNO2P.
What is the molecular weight of 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline?
The molecular weight of 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline is 299.03 g/mol.
Where can I buy 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline?
You can request a quote for 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-4-fluoro-N-[methyl(phenoxy)phosphoryl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.