2-Bromo-3,5,6-trimethylbenzene-1,4-diol
TL;DR: 2-Bromo-3,5,6-trimethylbenzene-1,4-diol (CAS 39055-45-3) is a chemical compound with molecular formula C9H11BrO2 and molecular weight 229.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3,5,6-trimethylbenzene-1,4-diol
Also Known As: 2-Bromo-3,5,6-trimethyl-hydroquinone, 2-bromo-3,5,6-trimethylbenzene-1,4-diol, 2-bromo-3,5,6-trimethyl-benzene-1,4-diol, 1,4-Benzenediol, 2-bromo-3,5,6-trimethyl-
| Molecular Formula | C9H11BrO2 |
|---|---|
| Molecular Weight | 229.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 229.99425 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 39055-45-3 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1O)C)Br)O)C |
| InChIKey | SQVHJXOSYSAFKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromo-3,5,6-trimethylbenzene-1,4-diol (CAS 39055-45-3), with molecular formula C9H11BrO2 and molecular weight 229.99 g/mol. IUPAC: 2-bromo-3,5,6-trimethylbenzene-1,4-diol.
Chemical Property Profile of 2-Bromo-3,5,6-trimethylbenzene-1,4-diol
Property Insights of 2-Bromo-3,5,6-trimethylbenzene-1,4-diol
The XLogP value of 3.0 indicates that 2-Bromo-3,5,6-trimethylbenzene-1,4-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2-Bromo-3,5,6-trimethylbenzene-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3,5,6-trimethylbenzene-1,4-diol has 2 hydrogen bond donor(s) and 2 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-3,5,6-trimethylbenzene-1,4-diol?
The CAS number of 2-Bromo-3,5,6-trimethylbenzene-1,4-diol is 39055-45-3.
What is the molecular formula of 2-Bromo-3,5,6-trimethylbenzene-1,4-diol?
The molecular formula of 2-Bromo-3,5,6-trimethylbenzene-1,4-diol is C9H11BrO2.
What is the molecular weight of 2-Bromo-3,5,6-trimethylbenzene-1,4-diol?
The molecular weight of 2-Bromo-3,5,6-trimethylbenzene-1,4-diol is 229.99 g/mol.
Where can I buy 2-Bromo-3,5,6-trimethylbenzene-1,4-diol?
You can request a quote for 2-Bromo-3,5,6-trimethylbenzene-1,4-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-3,5,6-trimethylbenzene-1,4-diol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-3,5,6-trimethylbenzene-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.