2-Benzoyl-4,6-dinitroaniline
TL;DR: 2-Benzoyl-4,6-dinitroaniline (CAS 20971-12-4) is a chemical compound with molecular formula C13H9N3O5 and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-3,5-dinitrophenyl)-phenylmethanone
Also Known As: 2-amino-3,5-dinitro-benzophenone, 2-BENZOYL-4,6-DINITROANILINE, (2-amino-3,5-dinitrophenyl)-phenylmethanone
| Molecular Formula | C13H9N3O5 |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | 2.3162 |
| Topological Polar Surface Area | 129.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.05423 |
| Heavy Atoms | 21 |
| Complexity | 742.972 |
Chemical Identifiers
| CAS Number | 20971-12-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])N |
Product Overview
2-Benzoyl-4,6-dinitroaniline (CAS 20971-12-4), with molecular formula C13H9N3O5 and molecular weight 287.05 g/mol. IUPAC: (2-amino-3,5-dinitrophenyl)-phenylmethanone.
Chemical Property Profile of 2-Benzoyl-4,6-dinitroaniline
Property Insights of 2-Benzoyl-4,6-dinitroaniline
The XLogP value of 2.3162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzoyl-4,6-dinitroaniline. The TPSA of 129.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzoyl-4,6-dinitroaniline. Following Lipinski's Rule of Five, 2-Benzoyl-4,6-dinitroaniline has 1 hydrogen bond donor(s) and 6 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-Benzoyl-4,6-dinitroaniline?
The CAS number of 2-Benzoyl-4,6-dinitroaniline is 20971-12-4.
What is the molecular formula of 2-Benzoyl-4,6-dinitroaniline?
The molecular formula of 2-Benzoyl-4,6-dinitroaniline is C13H9N3O5.
What is the molecular weight of 2-Benzoyl-4,6-dinitroaniline?
The molecular weight of 2-Benzoyl-4,6-dinitroaniline is 287.05 g/mol.
Where can I buy 2-Benzoyl-4,6-dinitroaniline?
You can request a quote for 2-Benzoyl-4,6-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzoyl-4,6-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzoyl-4,6-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.