2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one
TL;DR: 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one (CAS 70294-86-9) is a chemical compound with molecular formula C16H13BrN2O5 and molecular weight 392.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one
Also Known As: 2-bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one, 3-n-decyl-2-hydroxy-1,4-naphthoquinone
| Molecular Formula | C16H13BrN2O5 |
|---|---|
| Molecular Weight | 392.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0008 |
| Heavy Atoms | 24 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 70294-86-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(C(C[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])Br |
| InChIKey | JTDZREGXXRJPQT-UHFFFAOYSA-N |
Product Overview
2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one (CAS 70294-86-9), with molecular formula C16H13BrN2O5 and molecular weight 392.00 g/mol. IUPAC: 2-bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one.
Chemical Property Profile of 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one
Property Insights of 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one
The XLogP value of 3.8 indicates that 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one. Following Lipinski's Rule of Five, 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one has 0 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 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one?
The CAS number of 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one is 70294-86-9.
What is the molecular formula of 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one?
The molecular formula of 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one is C16H13BrN2O5.
What is the molecular weight of 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one?
The molecular weight of 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one is 392.00 g/mol.
Where can I buy 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one?
You can request a quote for 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-nitro-3-(4-nitrophenyl)-1-phenylbutan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.