3-Bromo-6-chloro-2-methoxytoluene
TL;DR: 3-Bromo-6-chloro-2-methoxytoluene (CAS 55289-30-0) is a chemical compound with molecular formula C8H8BrClO and molecular weight 233.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-chloro-2-methoxy-3-methylbenzene
Also Known As: 3-Bromo-6-chloro-2-methoxytoluene, 1-bromo-4-chloro-2-methoxy-3-methylbenzene, EINECS 280-876-0, Benzene,1-bromo-4-chloro-2-methoxy-5-methyl-, Benzene, 1-bromo-4-chloro-2-methoxy-3-methyl-
| Molecular Formula | C8H8BrClO |
|---|---|
| Molecular Weight | 233.94 g/mol |
| LogP | 3.41952 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.94472 |
| Heavy Atoms | 11 |
| Complexity | 273.03973 |
Chemical Identifiers
| CAS Number | 55289-30-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1OC)Br)Cl |
Product Overview
3-Bromo-6-chloro-2-methoxytoluene (CAS 55289-30-0), with molecular formula C8H8BrClO and molecular weight 233.94 g/mol. IUPAC: 1-bromo-4-chloro-2-methoxy-3-methylbenzene.
Chemical Property Profile of 3-Bromo-6-chloro-2-methoxytoluene
Property Insights of 3-Bromo-6-chloro-2-methoxytoluene
The XLogP value of 3.41952 indicates that 3-Bromo-6-chloro-2-methoxytoluene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 3-Bromo-6-chloro-2-methoxytoluene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-6-chloro-2-methoxytoluene 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 3-Bromo-6-chloro-2-methoxytoluene?
The CAS number of 3-Bromo-6-chloro-2-methoxytoluene is 55289-30-0.
What is the molecular formula of 3-Bromo-6-chloro-2-methoxytoluene?
The molecular formula of 3-Bromo-6-chloro-2-methoxytoluene is C8H8BrClO.
What is the molecular weight of 3-Bromo-6-chloro-2-methoxytoluene?
The molecular weight of 3-Bromo-6-chloro-2-methoxytoluene is 233.94 g/mol.
Where can I buy 3-Bromo-6-chloro-2-methoxytoluene?
You can request a quote for 3-Bromo-6-chloro-2-methoxytoluene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-6-chloro-2-methoxytoluene?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-6-chloro-2-methoxytoluene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.