![N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline structure](/static/products/2697/269729-26-2.webp)
N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline
TL;DR: N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline (CAS 269729-26-2) is a chemical compound with molecular formula C18H22NO5P and molecular weight 363.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline
Also Known As: BIM-0002615.P001, J1.212.155E, N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline, diethyl [(2H-1,3-benzodioxol-5-yl)(phenylamino)methyl]phosphonate, diethyl (benzo[d][1,3]dioxol-5-yl(phenylamino)methyl)phosphonate
| Molecular Formula | C18H22NO5P |
|---|---|
| Molecular Weight | 363.12 g/mol |
| LogP | 4.7921 |
| Topological Polar Surface Area | 66.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 363.12357 |
| Heavy Atoms | 25 |
| Complexity | 742.3866 |
Chemical Identifiers
| CAS Number | 269729-26-2 |
|---|---|
| SMILES | CCOP(=O)(C(C1=CC2=C(C=C1)OCO2)NC3=CC=CC=C3)OCC |
Product Overview
N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline (CAS 269729-26-2), with molecular formula C18H22NO5P and molecular weight 363.12 g/mol. IUPAC: N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline.
Chemical Property Profile of N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline
Property Insights of N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline
The XLogP value of 4.7921 indicates that N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline. Following Lipinski's Rule of Five, N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline 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 N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline?
The CAS number of N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline is 269729-26-2.
What is the molecular formula of N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline?
The molecular formula of N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline is C18H22NO5P.
What is the molecular weight of N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline?
The molecular weight of N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline is 363.12 g/mol.
Where can I buy N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline?
You can request a quote for N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[1,3-benzodioxol-5-yl(diethoxyphosphoryl)methyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.