1-Bromo-2-chloro-4,5-dimethylbenzene
TL;DR: 1-Bromo-2-chloro-4,5-dimethylbenzene (CAS 500536-40-3) is a chemical compound with molecular formula C8H8BrCl and molecular weight 217.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2-chloro-4,5-dimethylbenzene
Also Known As: 1-bromo-2-chloro-4,5-dimethylbenzene, 4-Bromo-5-chloro-o-xylene, 1-Brom-2-chlor-4,5-dimethyl-benzol, Benzene, 1-bromo-2-chloro-4,5-dimethyl-, 1-bromo-2-chloro-4,5-dimethyl-benzene
| Molecular Formula | C8H8BrCl |
|---|---|
| Molecular Weight | 217.95 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.94978 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 500536-40-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)Br)Cl |
| InChIKey | HHRBCSGJXSSZOH-UHFFFAOYSA-N |
Product Overview
1-Bromo-2-chloro-4,5-dimethylbenzene (CAS 500536-40-3), with molecular formula C8H8BrCl and molecular weight 217.95 g/mol. IUPAC: 1-bromo-2-chloro-4,5-dimethylbenzene.
Chemical Property Profile of 1-Bromo-2-chloro-4,5-dimethylbenzene
Property Insights of 1-Bromo-2-chloro-4,5-dimethylbenzene
The XLogP value of 4.0 indicates that 1-Bromo-2-chloro-4,5-dimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Bromo-2-chloro-4,5-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-chloro-4,5-dimethylbenzene 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 1-Bromo-2-chloro-4,5-dimethylbenzene?
The CAS number of 1-Bromo-2-chloro-4,5-dimethylbenzene is 500536-40-3.
What is the molecular formula of 1-Bromo-2-chloro-4,5-dimethylbenzene?
The molecular formula of 1-Bromo-2-chloro-4,5-dimethylbenzene is C8H8BrCl.
What is the molecular weight of 1-Bromo-2-chloro-4,5-dimethylbenzene?
The molecular weight of 1-Bromo-2-chloro-4,5-dimethylbenzene is 217.95 g/mol.
Where can I buy 1-Bromo-2-chloro-4,5-dimethylbenzene?
You can request a quote for 1-Bromo-2-chloro-4,5-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-chloro-4,5-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-chloro-4,5-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.