Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-
TL;DR: Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro- (CAS 59280-73-8) is a chemical compound with molecular formula C9H9BrN2O4 and molecular weight 287.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2,4,5-trimethyl-3,6-dinitrobenzene
Also Known As: 5-Brom-3,6-dinitropseudocumol, 5-Brom-3,6-dinitro-pseudocumol, 1-bromo-2,4,5-trimethyl-3,6-dinitrobenzene, Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-, Benzene,4,5-trimethyl-3,6-dinitro-
| Molecular Formula | C9H9BrN2O4 |
|---|---|
| Molecular Weight | 287.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 287.97458 |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 59280-73-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])C)Br)[N+](=O)[O-])C |
| InChIKey | ZMHKCOHMNLOBFO-UHFFFAOYSA-N |
Product Overview
Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro- (CAS 59280-73-8), with molecular formula C9H9BrN2O4 and molecular weight 287.97 g/mol. IUPAC: 1-bromo-2,4,5-trimethyl-3,6-dinitrobenzene.
Chemical Property Profile of Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-
Property Insights of Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-
The XLogP value of 3.4 indicates that Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-. Following Lipinski's Rule of Five, Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro- 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 Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-?
The CAS number of Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro- is 59280-73-8.
What is the molecular formula of Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-?
The molecular formula of Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro- is C9H9BrN2O4.
What is the molecular weight of Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-?
The molecular weight of Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro- is 287.97 g/mol.
Where can I buy Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-?
You can request a quote for Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-bromo-2,4,5-trimethyl-3,6-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.