2-Bromo-m-xylene
TL;DR: 2-Bromo-m-xylene (CAS 576-22-7) is a chemical compound with molecular formula C8H9Br and molecular weight 183.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1,3-dimethylbenzene
Also Known As: 2-Bromo-m-xylene, 2,6-Dimethylbromobenzene, 2-Bromo-1,3-dimethylbenzene, 1-Bromo-2,6-dimethylbenzene, Benzene, 2-bromo-1,3-dimethyl-
| Molecular Formula | C8H9Br |
|---|---|
| Molecular Weight | 183.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.98875 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 576-22-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)Br |
| InChIKey | MYMYVYZLMUEVED-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-m-xylene (CAS 576-22-7), with molecular formula C8H9Br and molecular weight 183.99 g/mol. IUPAC: 2-bromo-1,3-dimethylbenzene.
Chemical Property Profile of 2-Bromo-m-xylene
Property Insights of 2-Bromo-m-xylene
The XLogP value of 3.3 indicates that 2-Bromo-m-xylene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2-Bromo-m-xylene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-m-xylene has 0 hydrogen bond donor(s) and 0 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-m-xylene?
The CAS number of 2-Bromo-m-xylene is 576-22-7.
What is the molecular formula of 2-Bromo-m-xylene?
The molecular formula of 2-Bromo-m-xylene is C8H9Br.
What is the molecular weight of 2-Bromo-m-xylene?
The molecular weight of 2-Bromo-m-xylene is 183.99 g/mol.
Where can I buy 2-Bromo-m-xylene?
You can request a quote for 2-Bromo-m-xylene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-m-xylene?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-m-xylene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.