2-Bromo-4-chloro-1-methoxy-3-methylbenzene
TL;DR: 2-Bromo-4-chloro-1-methoxy-3-methylbenzene (CAS 29237-11-4) 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.
3-bromo-1-chloro-4-methoxy-2-methylbenzene
Also Known As: 2-Bromo-4-chloro-1-methoxy-3-methylbenzene, 2-Bromo-4-chloro-1-methoxy-3-methyl-benzene, Benzene, 2-bromo-4-chloro-1-methoxy-3-methyl-, 3-bromo-1-chloro-4-methoxy-2-methylbenzene, (2-bromo-4-chloro-1-methoxy-3-methylbenzene)
| Molecular Formula | C8H8BrClO |
|---|---|
| Molecular Weight | 233.94 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.94472 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 29237-11-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1Br)OC)Cl |
| InChIKey | JPUSSBZEYFBZNR-UHFFFAOYSA-N |
Product Overview
2-Bromo-4-chloro-1-methoxy-3-methylbenzene (CAS 29237-11-4), with molecular formula C8H8BrClO and molecular weight 233.94 g/mol. IUPAC: 3-bromo-1-chloro-4-methoxy-2-methylbenzene.
Chemical Property Profile of 2-Bromo-4-chloro-1-methoxy-3-methylbenzene
Property Insights of 2-Bromo-4-chloro-1-methoxy-3-methylbenzene
The XLogP value of 3.6 indicates that 2-Bromo-4-chloro-1-methoxy-3-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, 2-Bromo-4-chloro-1-methoxy-3-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4-chloro-1-methoxy-3-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 2-Bromo-4-chloro-1-methoxy-3-methylbenzene?
The CAS number of 2-Bromo-4-chloro-1-methoxy-3-methylbenzene is 29237-11-4.
What is the molecular formula of 2-Bromo-4-chloro-1-methoxy-3-methylbenzene?
The molecular formula of 2-Bromo-4-chloro-1-methoxy-3-methylbenzene is C8H8BrClO.
What is the molecular weight of 2-Bromo-4-chloro-1-methoxy-3-methylbenzene?
The molecular weight of 2-Bromo-4-chloro-1-methoxy-3-methylbenzene is 233.94 g/mol.
Where can I buy 2-Bromo-4-chloro-1-methoxy-3-methylbenzene?
You can request a quote for 2-Bromo-4-chloro-1-methoxy-3-methylbenzene 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-chloro-1-methoxy-3-methylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4-chloro-1-methoxy-3-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.