1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene
TL;DR: 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene (CAS 3637-58-9) is a chemical compound with molecular formula C8H6BrFN2O4 and molecular weight 291.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene
Also Known As: 1-bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene, 1-Brom-2-fluor-3,5-dimethyl-4,6-dinitro-benzol
| Molecular Formula | C8H6BrFN2O4 |
|---|---|
| Molecular Weight | 291.95 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 291.9495 |
| Heavy Atoms | 16 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 3637-58-9 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1[N+](=O)[O-])Br)F)C)[N+](=O)[O-] |
| InChIKey | DMJSCTASERIQOR-UHFFFAOYSA-N |
Product Overview
1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene (CAS 3637-58-9), with molecular formula C8H6BrFN2O4 and molecular weight 291.95 g/mol. IUPAC: 1-bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene.
Chemical Property Profile of 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene
Property Insights of 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene
The XLogP value of 3.1 indicates that 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene 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 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene. Following Lipinski's Rule of Five, 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene 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 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene?
The CAS number of 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene is 3637-58-9.
What is the molecular formula of 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene?
The molecular formula of 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene is C8H6BrFN2O4.
What is the molecular weight of 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene?
The molecular weight of 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene is 291.95 g/mol.
Where can I buy 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene?
You can request a quote for 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-fluoro-3,5-dimethyl-4,6-dinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.