Dinitrophenylbromobutanone
TL;DR: Dinitrophenylbromobutanone (CAS 2619-16-1) is a chemical compound with molecular formula C10H9BrN2O5 and molecular weight 315.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(2,4-dinitrophenyl)butan-2-one
Also Known As: Dinitrophenylbromobutanone, 1-Bromo-4-(2,4-dinitrophenyl)butan-2-one, 2-Butanone,1-bromo-4-(2,4-dinitrophenyl)-, RefChem:134451
| Molecular Formula | C10H9BrN2O5 |
|---|---|
| Molecular Weight | 315.97 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.96948 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 2619-16-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCC(=O)CBr |
| InChIKey | ZJOGRWQGUGDSED-UHFFFAOYSA-N |
Product Overview
Dinitrophenylbromobutanone (CAS 2619-16-1), with molecular formula C10H9BrN2O5 and molecular weight 315.97 g/mol. IUPAC: 1-bromo-4-(2,4-dinitrophenyl)butan-2-one.
Chemical Property Profile of Dinitrophenylbromobutanone
Property Insights of Dinitrophenylbromobutanone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dinitrophenylbromobutanone. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinitrophenylbromobutanone. Following Lipinski's Rule of Five, Dinitrophenylbromobutanone 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 Dinitrophenylbromobutanone?
The CAS number of Dinitrophenylbromobutanone is 2619-16-1.
What is the molecular formula of Dinitrophenylbromobutanone?
The molecular formula of Dinitrophenylbromobutanone is C10H9BrN2O5.
What is the molecular weight of Dinitrophenylbromobutanone?
The molecular weight of Dinitrophenylbromobutanone is 315.97 g/mol.
Where can I buy Dinitrophenylbromobutanone?
You can request a quote for Dinitrophenylbromobutanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinitrophenylbromobutanone?
Yes, KEHONG BIO provides custom synthesis services for Dinitrophenylbromobutanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.