2,6-Dibromo-4-(2-nitroethenyl)phenol
TL;DR: 2,6-Dibromo-4-(2-nitroethenyl)phenol (CAS 82040-80-0) is a chemical compound with molecular formula C8H5Br2NO3 and molecular weight 320.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dibromo-4-(2-nitroethenyl)phenol
Also Known As: NCIOpen2_007850, 2,6-dibromo-4-(2-nitroethenyl)phenol, 2,6-dibromo-4-[(E)-2-nitroethenyl]phenol
| Molecular Formula | C8H5Br2NO3 |
|---|---|
| Molecular Weight | 320.86 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.86362 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 82040-80-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)O)Br)C=C[N+](=O)[O-] |
| InChIKey | CTJGBTQBMJYEIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dibromo-4-(2-nitroethenyl)phenol (CAS 82040-80-0), with molecular formula C8H5Br2NO3 and molecular weight 320.86 g/mol. IUPAC: 2,6-dibromo-4-(2-nitroethenyl)phenol.
Chemical Property Profile of 2,6-Dibromo-4-(2-nitroethenyl)phenol
Property Insights of 2,6-Dibromo-4-(2-nitroethenyl)phenol
The XLogP value of 3.2 indicates that 2,6-Dibromo-4-(2-nitroethenyl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dibromo-4-(2-nitroethenyl)phenol. Following Lipinski's Rule of Five, 2,6-Dibromo-4-(2-nitroethenyl)phenol has 1 hydrogen bond donor(s) and 3 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 2,6-Dibromo-4-(2-nitroethenyl)phenol?
The CAS number of 2,6-Dibromo-4-(2-nitroethenyl)phenol is 82040-80-0.
What is the molecular formula of 2,6-Dibromo-4-(2-nitroethenyl)phenol?
The molecular formula of 2,6-Dibromo-4-(2-nitroethenyl)phenol is C8H5Br2NO3.
What is the molecular weight of 2,6-Dibromo-4-(2-nitroethenyl)phenol?
The molecular weight of 2,6-Dibromo-4-(2-nitroethenyl)phenol is 320.86 g/mol.
Where can I buy 2,6-Dibromo-4-(2-nitroethenyl)phenol?
You can request a quote for 2,6-Dibromo-4-(2-nitroethenyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dibromo-4-(2-nitroethenyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibromo-4-(2-nitroethenyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.