2,6-Diacetylaniline
TL;DR: 2,6-Diacetylaniline (CAS 33360-28-0) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-2-aminophenyl)ethanone
Also Known As: 2,6-Diacetylaniline, Aniline, 2,6-diacetyl-, 2,6-Diacetylanilin, 1-(3-acetyl-2-aminophenyl)ethanone, 1-(3-acetyl-2-aminophenyl)ethan-1-one
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 33360-28-0 |
|---|---|
| SMILES | CC(=O)C1=C(C(=CC=C1)C(=O)C)N |
| InChIKey | NZUYMIPWWKPSEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Diacetylaniline (CAS 33360-28-0), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 1-(3-acetyl-2-aminophenyl)ethanone.
Chemical Property Profile of 2,6-Diacetylaniline
Property Insights of 2,6-Diacetylaniline
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diacetylaniline. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Diacetylaniline. Following Lipinski's Rule of Five, 2,6-Diacetylaniline 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 2,6-Diacetylaniline?
The CAS number of 2,6-Diacetylaniline is 33360-28-0.
What is the molecular formula of 2,6-Diacetylaniline?
The molecular formula of 2,6-Diacetylaniline is C10H11NO2.
What is the molecular weight of 2,6-Diacetylaniline?
The molecular weight of 2,6-Diacetylaniline is 177.08 g/mol.
Where can I buy 2,6-Diacetylaniline?
You can request a quote for 2,6-Diacetylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diacetylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diacetylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.