3-(4-Aminophenoxy)aniline
TL;DR: 3-(4-Aminophenoxy)aniline (CAS 2657-87-6) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminophenoxy)aniline
Also Known As: 3,4'-Oxydianiline, 3-(4-Aminophenoxy)aniline, 3,4-oxydianiline, 3,4'-Diaminodiphenyl Ether, 3,4'-Diamino diphenylether
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 2657-87-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)N)N |
| InChIKey | ZBMISJGHVWNWTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Aminophenoxy)aniline (CAS 2657-87-6), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 3-(4-aminophenoxy)aniline.
Chemical Property Profile of 3-(4-Aminophenoxy)aniline
Property Insights of 3-(4-Aminophenoxy)aniline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Aminophenoxy)aniline. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Aminophenoxy)aniline. Following Lipinski's Rule of Five, 3-(4-Aminophenoxy)aniline has 2 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 3-(4-Aminophenoxy)aniline?
The CAS number of 3-(4-Aminophenoxy)aniline is 2657-87-6.
What is the molecular formula of 3-(4-Aminophenoxy)aniline?
The molecular formula of 3-(4-Aminophenoxy)aniline is C12H12N2O.
What is the molecular weight of 3-(4-Aminophenoxy)aniline?
The molecular weight of 3-(4-Aminophenoxy)aniline is 200.09 g/mol.
Where can I buy 3-(4-Aminophenoxy)aniline?
You can request a quote for 3-(4-Aminophenoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Aminophenoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Aminophenoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.