2-Bromo-1-tert-butyl-4-nitrobenzene
TL;DR: 2-Bromo-1-tert-butyl-4-nitrobenzene (CAS 6310-17-4) is a chemical compound with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-tert-butyl-4-nitrobenzene
Also Known As: 2-bromo-1-tert-butyl-4-nitrobenzene, 2-Bromo-1-(tert-butyl)-4-nitrobenzene, 1-(tert-butyl)-2-bromo-4-nitrobenzene, 2-BROMO-4-NITRO-1-TERT-BUTYL-BENZENE, 2-bromo-4-tert-butylnitrobenzene
| Molecular Formula | C10H12BrNO2 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 257.00513 |
| Heavy Atoms | 14 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 6310-17-4 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=C(C=C1)[N+](=O)[O-])Br |
| InChIKey | VIXSTSCFPDRETO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-1-tert-butyl-4-nitrobenzene (CAS 6310-17-4), with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol. IUPAC: 2-bromo-1-tert-butyl-4-nitrobenzene.
Chemical Property Profile of 2-Bromo-1-tert-butyl-4-nitrobenzene
Property Insights of 2-Bromo-1-tert-butyl-4-nitrobenzene
The XLogP value of 4.1 indicates that 2-Bromo-1-tert-butyl-4-nitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Bromo-1-tert-butyl-4-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-1-tert-butyl-4-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 2-Bromo-1-tert-butyl-4-nitrobenzene?
The CAS number of 2-Bromo-1-tert-butyl-4-nitrobenzene is 6310-17-4.
What is the molecular formula of 2-Bromo-1-tert-butyl-4-nitrobenzene?
The molecular formula of 2-Bromo-1-tert-butyl-4-nitrobenzene is C10H12BrNO2.
What is the molecular weight of 2-Bromo-1-tert-butyl-4-nitrobenzene?
The molecular weight of 2-Bromo-1-tert-butyl-4-nitrobenzene is 257.01 g/mol.
Where can I buy 2-Bromo-1-tert-butyl-4-nitrobenzene?
You can request a quote for 2-Bromo-1-tert-butyl-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-1-tert-butyl-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-tert-butyl-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.