2-Bromo-4-methylanisole
TL;DR: 2-Bromo-4-methylanisole (CAS 22002-45-5) is a chemical compound with molecular formula C8H9BrO and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-methoxy-4-methylbenzene
Also Known As: 3-Bromo-4-methoxytoluene, 2-Bromo-4-methylanisole, 2-Bromo-1-methoxy-4-methylbenzene, 3-bromo-4-methoxy toluene, Benzene,2-bromo-1-methoxy-4-methyl-
| Molecular Formula | C8H9BrO |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 199.98367 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 22002-45-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)Br |
| InChIKey | DHPUIKWBNXTXOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4-methylanisole (CAS 22002-45-5), with molecular formula C8H9BrO and molecular weight 199.98 g/mol. IUPAC: 2-bromo-1-methoxy-4-methylbenzene.
Chemical Property Profile of 2-Bromo-4-methylanisole
Property Insights of 2-Bromo-4-methylanisole
The XLogP value of 3.1 indicates that 2-Bromo-4-methylanisole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 2-Bromo-4-methylanisole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-methylanisole has 0 hydrogen bond donor(s) and 1 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-methylanisole?
The CAS number of 2-Bromo-4-methylanisole is 22002-45-5.
What is the molecular formula of 2-Bromo-4-methylanisole?
The molecular formula of 2-Bromo-4-methylanisole is C8H9BrO.
What is the molecular weight of 2-Bromo-4-methylanisole?
The molecular weight of 2-Bromo-4-methylanisole is 199.98 g/mol.
Where can I buy 2-Bromo-4-methylanisole?
You can request a quote for 2-Bromo-4-methylanisole 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-methylanisole?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-methylanisole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.