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N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline
TL;DR: N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline (CAS 5761-36-4) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline
Also Known As: N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline, N-(3,4-dimethoxyphenethyl)-2-nitroaniline, J2.277.294E, benzeneethanamine,3,4-dimethoxy-n-(2-nitrophenyl)-, N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline #
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 5761-36-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC2=CC=CC=C2[N+](=O)[O-])OC |
| InChIKey | WTYHBBAKTOTGDL-UHFFFAOYSA-N |
Product Overview
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline (CAS 5761-36-4), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline.
Chemical Property Profile of N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline
Property Insights of N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline
The XLogP value of 4.2 indicates that N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline. Following Lipinski's Rule of Five, N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline 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 N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline?
The CAS number of N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline is 5761-36-4.
What is the molecular formula of N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline?
The molecular formula of N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline is C16H18N2O4.
What is the molecular weight of N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline?
The molecular weight of N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline is 302.13 g/mol.
Where can I buy N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline?
You can request a quote for N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-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-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.