2-Bromo-4-methyl-5-nitroanisole
TL;DR: 2-Bromo-4-methyl-5-nitroanisole (CAS 41934-82-1) is a chemical compound with molecular formula C8H8BrNO3 and molecular weight 244.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-methoxy-5-methyl-4-nitrobenzene
Also Known As: 2-Bromo-4-methyl-5-nitroanisole, 1-bromo-2-methoxy-5-methyl-4-nitrobenzene, 3Bromo-4-methoxy-6-nitrotoluene, 2-Brom-4-methyl-5-nitro-anisol, 1-bromo-2-methoxy-5-methyl-4-nitro-benzene
| Molecular Formula | C8H8BrNO3 |
|---|---|
| Molecular Weight | 244.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.96877 |
| Heavy Atoms | 13 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 41934-82-1 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])OC)Br |
| InChIKey | JZBCPWGVPOVHAC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4-methyl-5-nitroanisole (CAS 41934-82-1), with molecular formula C8H8BrNO3 and molecular weight 244.97 g/mol. IUPAC: 1-bromo-2-methoxy-5-methyl-4-nitrobenzene.
Chemical Property Profile of 2-Bromo-4-methyl-5-nitroanisole
Property Insights of 2-Bromo-4-methyl-5-nitroanisole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-4-methyl-5-nitroanisole. With a topological polar surface area (TPSA) of 55.1 Ų, 2-Bromo-4-methyl-5-nitroanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-methyl-5-nitroanisole has 0 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-5-nitroanisole?
The CAS number of 2-Bromo-4-methyl-5-nitroanisole is 41934-82-1.
What is the molecular formula of 2-Bromo-4-methyl-5-nitroanisole?
The molecular formula of 2-Bromo-4-methyl-5-nitroanisole is C8H8BrNO3.
What is the molecular weight of 2-Bromo-4-methyl-5-nitroanisole?
The molecular weight of 2-Bromo-4-methyl-5-nitroanisole is 244.97 g/mol.
Where can I buy 2-Bromo-4-methyl-5-nitroanisole?
You can request a quote for 2-Bromo-4-methyl-5-nitroanisole 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-5-nitroanisole?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-methyl-5-nitroanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.