4-Bromo-1-methoxy-2-methylbenzene
TL;DR: 4-Bromo-1-methoxy-2-methylbenzene (CAS 14804-31-0) 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.
4-bromo-1-methoxy-2-methylbenzene
Also Known As: 4-Bromo-2-methylanisole, 4-Bromo-1-methoxy-2-methylbenzene, 5-Bromo-2-methoxytoluene, Bromomethoxytoluene, Benzene, 4-bromo-1-methoxy-2-methyl-
| Molecular Formula | C8H9BrO |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 3.5 |
| 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 | 14804-31-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)OC |
| InChIKey | UDLRGQOHGYWLCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-methoxy-2-methylbenzene (CAS 14804-31-0), with molecular formula C8H9BrO and molecular weight 199.98 g/mol. IUPAC: 4-bromo-1-methoxy-2-methylbenzene.
Chemical Property Profile of 4-Bromo-1-methoxy-2-methylbenzene
Property Insights of 4-Bromo-1-methoxy-2-methylbenzene
The XLogP value of 3.5 indicates that 4-Bromo-1-methoxy-2-methylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Bromo-1-methoxy-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-methoxy-2-methylbenzene 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 4-Bromo-1-methoxy-2-methylbenzene?
The CAS number of 4-Bromo-1-methoxy-2-methylbenzene is 14804-31-0.
What is the molecular formula of 4-Bromo-1-methoxy-2-methylbenzene?
The molecular formula of 4-Bromo-1-methoxy-2-methylbenzene is C8H9BrO.
What is the molecular weight of 4-Bromo-1-methoxy-2-methylbenzene?
The molecular weight of 4-Bromo-1-methoxy-2-methylbenzene is 199.98 g/mol.
Where can I buy 4-Bromo-1-methoxy-2-methylbenzene?
You can request a quote for 4-Bromo-1-methoxy-2-methylbenzene 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-methoxy-2-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-methoxy-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.