2-Bromo-4,5-dimethylphenol
TL;DR: 2-Bromo-4,5-dimethylphenol (CAS 22802-39-7) 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.
2-bromo-4,5-dimethylphenol
Also Known As: 2-bromo-4,5-dimethylphenol, 3,4-Xylenol, 6-bromo-, 5-Brom-4-hydroxy-o-xylol, Phenol, 2-bromo-4,5-dimethyl-, 4,5-Dimethyl-2-bromophenol
| Molecular Formula | C8H9BrO |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.98367 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 22802-39-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1C)Br)O |
| InChIKey | GJLPLXXEHFEMBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-4,5-dimethylphenol (CAS 22802-39-7), with molecular formula C8H9BrO and molecular weight 199.98 g/mol. IUPAC: 2-bromo-4,5-dimethylphenol.
Chemical Property Profile of 2-Bromo-4,5-dimethylphenol
Property Insights of 2-Bromo-4,5-dimethylphenol
The XLogP value of 3.0 indicates that 2-Bromo-4,5-dimethylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Bromo-4,5-dimethylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-4,5-dimethylphenol has 1 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-4,5-dimethylphenol?
The CAS number of 2-Bromo-4,5-dimethylphenol is 22802-39-7.
What is the molecular formula of 2-Bromo-4,5-dimethylphenol?
The molecular formula of 2-Bromo-4,5-dimethylphenol is C8H9BrO.
What is the molecular weight of 2-Bromo-4,5-dimethylphenol?
The molecular weight of 2-Bromo-4,5-dimethylphenol is 199.98 g/mol.
Where can I buy 2-Bromo-4,5-dimethylphenol?
You can request a quote for 2-Bromo-4,5-dimethylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-4,5-dimethylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-4,5-dimethylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.