2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile
TL;DR: 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile (CAS 876536-30-0) is a chemical compound with molecular formula C13H6Br2N2O3 and molecular weight 395.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dibromophenoxy)-5-nitrobenzonitrile
Also Known As: 2-(2,4-dibromophenoxy)-5-nitrobenzonitrile
| Molecular Formula | C13H6Br2N2O3 |
|---|---|
| Molecular Weight | 395.87 g/mol |
| LogP | 4.78378 |
| Topological Polar Surface Area | 76.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.8745 |
| Heavy Atoms | 20 |
| Complexity | 726.04156 |
Chemical Identifiers
| CAS Number | 876536-30-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C#N)OC2=C(C=C(C=C2)Br)Br |
Product Overview
2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile (CAS 876536-30-0), with molecular formula C13H6Br2N2O3 and molecular weight 395.87 g/mol. IUPAC: 2-(2,4-dibromophenoxy)-5-nitrobenzonitrile.
Chemical Property Profile of 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile
Property Insights of 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile
The XLogP value of 4.78378 indicates that 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile has 0 hydrogen bond donor(s) and 4 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-(2,4-Dibromophenoxy)-5-nitrobenzonitrile?
The CAS number of 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile is 876536-30-0.
What is the molecular formula of 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile?
The molecular formula of 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile is C13H6Br2N2O3.
What is the molecular weight of 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile?
The molecular weight of 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile is 395.87 g/mol.
Where can I buy 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile?
You can request a quote for 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Dibromophenoxy)-5-nitrobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.