Diethyl(3-fluoro-4-methylphenyl)phosphoramidate
TL;DR: Diethyl(3-fluoro-4-methylphenyl)phosphoramidate (CAS 20314-62-9) is a chemical compound with molecular formula C11H17FNO3P and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-diethoxyphosphoryl-3-fluoro-4-methylaniline
Also Known As: diethyl(3-fluoro-4-methylphenyl)phosphoramidate, N-diethoxyphosphoryl-3-fluoro-4-methylaniline, N-diethoxyphosphoryl-3-fluoro-4-methyl-aniline, Diethyl N-(3-fluoro-4-methylphenyl)phosphoramidate
| Molecular Formula | C11H17FNO3P |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.09302 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 20314-62-9 |
|---|---|
| SMILES | CCOP(=O)(NC1=CC(=C(C=C1)C)F)OCC |
| InChIKey | LWKHREXMRMZOFF-UHFFFAOYSA-N |
Product Overview
Diethyl(3-fluoro-4-methylphenyl)phosphoramidate (CAS 20314-62-9), with molecular formula C11H17FNO3P and molecular weight 261.09 g/mol. IUPAC: N-diethoxyphosphoryl-3-fluoro-4-methylaniline.
Chemical Property Profile of Diethyl(3-fluoro-4-methylphenyl)phosphoramidate
Property Insights of Diethyl(3-fluoro-4-methylphenyl)phosphoramidate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(3-fluoro-4-methylphenyl)phosphoramidate. With a topological polar surface area (TPSA) of 47.6 Ų, Diethyl(3-fluoro-4-methylphenyl)phosphoramidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl(3-fluoro-4-methylphenyl)phosphoramidate 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 Diethyl(3-fluoro-4-methylphenyl)phosphoramidate?
The CAS number of Diethyl(3-fluoro-4-methylphenyl)phosphoramidate is 20314-62-9.
What is the molecular formula of Diethyl(3-fluoro-4-methylphenyl)phosphoramidate?
The molecular formula of Diethyl(3-fluoro-4-methylphenyl)phosphoramidate is C11H17FNO3P.
What is the molecular weight of Diethyl(3-fluoro-4-methylphenyl)phosphoramidate?
The molecular weight of Diethyl(3-fluoro-4-methylphenyl)phosphoramidate is 261.09 g/mol.
Where can I buy Diethyl(3-fluoro-4-methylphenyl)phosphoramidate?
You can request a quote for Diethyl(3-fluoro-4-methylphenyl)phosphoramidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(3-fluoro-4-methylphenyl)phosphoramidate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(3-fluoro-4-methylphenyl)phosphoramidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.