N-(2-phenylethyl)-p-nitroaniline
TL;DR: N-(2-phenylethyl)-p-nitroaniline (CAS 39563-67-2) is a chemical compound with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-N-(2-phenylethyl)aniline
Also Known As: 4-Nitrophenylphenethylamine, 4-nitro-N-phenethylaniline, 4-nitro-N-phenethyl-aniline, 4-nitro-N-(2-phenylethyl)aniline, N-(2-phenylethyl)-p-nitroaniline
| Molecular Formula | C14H14N2O2 |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 3.2494 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.10553 |
| Heavy Atoms | 18 |
| Complexity | 509.07703 |
Chemical Identifiers
| CAS Number | 39563-67-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
N-(2-phenylethyl)-p-nitroaniline (CAS 39563-67-2), with molecular formula C14H14N2O2 and molecular weight 242.11 g/mol. IUPAC: 4-nitro-N-(2-phenylethyl)aniline.
Chemical Property Profile of N-(2-phenylethyl)-p-nitroaniline
Property Insights of N-(2-phenylethyl)-p-nitroaniline
The XLogP value of 3.2494 indicates that N-(2-phenylethyl)-p-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, N-(2-phenylethyl)-p-nitroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-phenylethyl)-p-nitroaniline 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-phenylethyl)-p-nitroaniline?
The CAS number of N-(2-phenylethyl)-p-nitroaniline is 39563-67-2.
What is the molecular formula of N-(2-phenylethyl)-p-nitroaniline?
The molecular formula of N-(2-phenylethyl)-p-nitroaniline is C14H14N2O2.
What is the molecular weight of N-(2-phenylethyl)-p-nitroaniline?
The molecular weight of N-(2-phenylethyl)-p-nitroaniline is 242.11 g/mol.
Where can I buy N-(2-phenylethyl)-p-nitroaniline?
You can request a quote for N-(2-phenylethyl)-p-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-phenylethyl)-p-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-phenylethyl)-p-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.