4-Bromo-1-cyclopropyl-2-nitrobenzene
TL;DR: 4-Bromo-1-cyclopropyl-2-nitrobenzene (CAS 5133-36-8) is a chemical compound with molecular formula C9H8BrNO2 and molecular weight 240.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-cyclopropyl-2-nitrobenzene
Also Known As: 4-bromo-1-cyclopropyl-2-nitrobenzene, Benzene, 4-bromo-1-cyclopropyl-2-nitro-, 4-bromo-2-nitrophenylcyclopropane, 5-bromo-2-cyclopropylnitrobenzene, 4-bromo-2-nitrophenyl-cyclopropane
| Molecular Formula | C9H8BrNO2 |
|---|---|
| Molecular Weight | 240.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.97385 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5133-36-8 |
|---|---|
| SMILES | C1CC1C2=C(C=C(C=C2)Br)[N+](=O)[O-] |
| InChIKey | USMHBCCEXSPEMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-cyclopropyl-2-nitrobenzene (CAS 5133-36-8), with molecular formula C9H8BrNO2 and molecular weight 240.97 g/mol. IUPAC: 4-bromo-1-cyclopropyl-2-nitrobenzene.
Chemical Property Profile of 4-Bromo-1-cyclopropyl-2-nitrobenzene
Property Insights of 4-Bromo-1-cyclopropyl-2-nitrobenzene
The XLogP value of 3.4 indicates that 4-Bromo-1-cyclopropyl-2-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, 4-Bromo-1-cyclopropyl-2-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-cyclopropyl-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 4-Bromo-1-cyclopropyl-2-nitrobenzene?
The CAS number of 4-Bromo-1-cyclopropyl-2-nitrobenzene is 5133-36-8.
What is the molecular formula of 4-Bromo-1-cyclopropyl-2-nitrobenzene?
The molecular formula of 4-Bromo-1-cyclopropyl-2-nitrobenzene is C9H8BrNO2.
What is the molecular weight of 4-Bromo-1-cyclopropyl-2-nitrobenzene?
The molecular weight of 4-Bromo-1-cyclopropyl-2-nitrobenzene is 240.97 g/mol.
Where can I buy 4-Bromo-1-cyclopropyl-2-nitrobenzene?
You can request a quote for 4-Bromo-1-cyclopropyl-2-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-cyclopropyl-2-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-cyclopropyl-2-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.