N-(2,2-diethoxyethyl)-4-fluoroaniline
TL;DR: N-(2,2-diethoxyethyl)-4-fluoroaniline (CAS 239085-97-3) is a chemical compound with molecular formula C12H18FNO2 and molecular weight 227.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,2-diethoxyethyl)-4-fluoroaniline
Also Known As: N-(2,2-diethoxyethyl)-4-fluoroaniline, N-(2,2-diethoxyethyl)-N-(4-fluorophenyl)amine, Benzenamine,N-(2,2-diethoxyethyl)-4-fluoro-, (2,2-diethoxyethyl)(4-fluorophenyl)amine, [(4-Fluorophenyl)amino]acetaldehyde diethyl acetal
| Molecular Formula | C12H18FNO2 |
|---|---|
| Molecular Weight | 227.13 g/mol |
| LogP | 2.6367 |
| Topological Polar Surface Area | 30.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 227.13216 |
| Heavy Atoms | 16 |
| Complexity | 283.57516 |
Chemical Identifiers
| CAS Number | 239085-97-3 |
|---|---|
| SMILES | CCOC(CNC1=CC=C(C=C1)F)OCC |
Product Overview
N-(2,2-diethoxyethyl)-4-fluoroaniline (CAS 239085-97-3), with molecular formula C12H18FNO2 and molecular weight 227.13 g/mol. IUPAC: N-(2,2-diethoxyethyl)-4-fluoroaniline.
Chemical Property Profile of N-(2,2-diethoxyethyl)-4-fluoroaniline
Property Insights of N-(2,2-diethoxyethyl)-4-fluoroaniline
The XLogP value of 2.6367 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,2-diethoxyethyl)-4-fluoroaniline. With a topological polar surface area (TPSA) of 30.49 Ų, N-(2,2-diethoxyethyl)-4-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,2-diethoxyethyl)-4-fluoroaniline has 1 hydrogen bond donor(s) and 3 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-(2,2-diethoxyethyl)-4-fluoroaniline?
The CAS number of N-(2,2-diethoxyethyl)-4-fluoroaniline is 239085-97-3.
What is the molecular formula of N-(2,2-diethoxyethyl)-4-fluoroaniline?
The molecular formula of N-(2,2-diethoxyethyl)-4-fluoroaniline is C12H18FNO2.
What is the molecular weight of N-(2,2-diethoxyethyl)-4-fluoroaniline?
The molecular weight of N-(2,2-diethoxyethyl)-4-fluoroaniline is 227.13 g/mol.
Where can I buy N-(2,2-diethoxyethyl)-4-fluoroaniline?
You can request a quote for N-(2,2-diethoxyethyl)-4-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,2-diethoxyethyl)-4-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2,2-diethoxyethyl)-4-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.