2-Bromo-4-methyl-6-nitrophenol
TL;DR: 2-Bromo-4-methyl-6-nitrophenol (CAS 20039-91-2) is a chemical compound with molecular formula C7H6BrNO3 and molecular weight 230.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-4-methyl-6-nitrophenol
Also Known As: 2-BROMO-4-METHYL-6-NITROPHENOL, Phenol, 2-bromo-4-methyl-6-nitro-, 2-Bromo-6-nitro-4-cresol, 2-bromo-4-methyl-6-nitro-phenol, 6-Nitro-2-brom-4-methylphenol
| Molecular Formula | C7H6BrNO3 |
|---|---|
| Molecular Weight | 230.95 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.95311 |
| Heavy Atoms | 12 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 20039-91-2 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] |
| InChIKey | ABMPSIRCVCUHLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4-methyl-6-nitrophenol (CAS 20039-91-2), with molecular formula C7H6BrNO3 and molecular weight 230.95 g/mol. IUPAC: 2-bromo-4-methyl-6-nitrophenol.
Chemical Property Profile of 2-Bromo-4-methyl-6-nitrophenol
Property Insights of 2-Bromo-4-methyl-6-nitrophenol
The XLogP value of 3.0 indicates that 2-Bromo-4-methyl-6-nitrophenol 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-Bromo-4-methyl-6-nitrophenol. Following Lipinski's Rule of Five, 2-Bromo-4-methyl-6-nitrophenol 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-Bromo-4-methyl-6-nitrophenol?
The CAS number of 2-Bromo-4-methyl-6-nitrophenol is 20039-91-2.
What is the molecular formula of 2-Bromo-4-methyl-6-nitrophenol?
The molecular formula of 2-Bromo-4-methyl-6-nitrophenol is C7H6BrNO3.
What is the molecular weight of 2-Bromo-4-methyl-6-nitrophenol?
The molecular weight of 2-Bromo-4-methyl-6-nitrophenol is 230.95 g/mol.
Where can I buy 2-Bromo-4-methyl-6-nitrophenol?
You can request a quote for 2-Bromo-4-methyl-6-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4-methyl-6-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-methyl-6-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.