1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
TL;DR: 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione (CAS 31029-96-6) is a chemical compound with molecular formula C14H11NO2 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-aminophenyl)-2-phenylethane-1,2-dione
Also Known As: 4-amino-benzil, Ethanedione, (4-aminophenyl)phenyl-, 1-(4-aminophenyl)-2-phenylethane-1,2-dione, 1-(4-Aminophenyl)-2-phenyl-1,2-ethanedione, 1-(4-aminophenyl)-2-phenyl-ethane-1,2-dione
| Molecular Formula | C14H11NO2 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.07898 |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
Chemical Identifiers
| CAS Number | 31029-96-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)N |
| InChIKey | JHBUKUKCTQDSAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione (CAS 31029-96-6), with molecular formula C14H11NO2 and molecular weight 225.08 g/mol. IUPAC: 1-(4-aminophenyl)-2-phenylethane-1,2-dione.
Chemical Property Profile of 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
Property Insights of 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione. Following Lipinski's Rule of Five, 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione 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 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione?
The CAS number of 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione is 31029-96-6.
What is the molecular formula of 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione?
The molecular formula of 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione is C14H11NO2.
What is the molecular weight of 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione?
The molecular weight of 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione is 225.08 g/mol.
Where can I buy 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione?
You can request a quote for 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Amino-phenyl)-2-phenyl-ethane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.