1-Bromo-3,5-ditert-butyl-2-nitrobenzene
TL;DR: 1-Bromo-3,5-ditert-butyl-2-nitrobenzene (CAS 80438-69-3) is a chemical compound with molecular formula C14H20BrNO2 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3,5-ditert-butyl-2-nitrobenzene
Also Known As: 1-bromo-3,5-ditert-butyl-2-nitrobenzene, 1-bromo-3,5-di-tert-butyl-2-nitrobenzene, AE-562/12222230
| Molecular Formula | C14H20BrNO2 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 4.9523 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 313.06775 |
| Heavy Atoms | 18 |
| Complexity | 481.79297 |
Chemical Identifiers
| CAS Number | 80438-69-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)Br)[N+](=O)[O-])C(C)(C)C |
Product Overview
1-Bromo-3,5-ditert-butyl-2-nitrobenzene (CAS 80438-69-3), with molecular formula C14H20BrNO2 and molecular weight 313.07 g/mol. IUPAC: 1-bromo-3,5-ditert-butyl-2-nitrobenzene.
Chemical Property Profile of 1-Bromo-3,5-ditert-butyl-2-nitrobenzene
Property Insights of 1-Bromo-3,5-ditert-butyl-2-nitrobenzene
The XLogP value of 4.9523 indicates that 1-Bromo-3,5-ditert-butyl-2-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 1-Bromo-3,5-ditert-butyl-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-3,5-ditert-butyl-2-nitrobenzene has 0 hydrogen bond donor(s) and 2 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-3,5-ditert-butyl-2-nitrobenzene?
The CAS number of 1-Bromo-3,5-ditert-butyl-2-nitrobenzene is 80438-69-3.
What is the molecular formula of 1-Bromo-3,5-ditert-butyl-2-nitrobenzene?
The molecular formula of 1-Bromo-3,5-ditert-butyl-2-nitrobenzene is C14H20BrNO2.
What is the molecular weight of 1-Bromo-3,5-ditert-butyl-2-nitrobenzene?
The molecular weight of 1-Bromo-3,5-ditert-butyl-2-nitrobenzene is 313.07 g/mol.
Where can I buy 1-Bromo-3,5-ditert-butyl-2-nitrobenzene?
You can request a quote for 1-Bromo-3,5-ditert-butyl-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-3,5-ditert-butyl-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-3,5-ditert-butyl-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.