3,4,6-Tribromo-5-Methylbenzene-1,2-Diol
TL;DR: 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol (CAS 56759-56-9) is a chemical compound with molecular formula C7H5Br3O2 and molecular weight 357.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6-tribromo-5-methylbenzene-1,2-diol
Also Known As: 3,4,6-tribromo-5-methylbenzene-1,2-diol, Pyrocatechol, 4-methyl-3,5,6-tribromo-, starbld0020335, 6-Hydroxy-2,4,5-tribromo-m-cresol, 4-Methyl-3,5,6-tribromopyrocatechol
| Molecular Formula | C7H5Br3O2 |
|---|---|
| Molecular Weight | 357.78 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 359.78192 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 56759-56-9 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Br)Br)O)O)Br |
| InChIKey | KMNDTYWRUVCTHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,6-Tribromo-5-Methylbenzene-1,2-Diol (CAS 56759-56-9), with molecular formula C7H5Br3O2 and molecular weight 357.78 g/mol. IUPAC: 3,4,6-tribromo-5-methylbenzene-1,2-diol.
Chemical Property Profile of 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol
Property Insights of 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol
The XLogP value of 3.6 indicates that 3,4,6-Tribromo-5-Methylbenzene-1,2-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, 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,6-Tribromo-5-Methylbenzene-1,2-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 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol?
The CAS number of 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol is 56759-56-9.
What is the molecular formula of 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol?
The molecular formula of 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol is C7H5Br3O2.
What is the molecular weight of 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol?
The molecular weight of 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol is 357.78 g/mol.
Where can I buy 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol?
You can request a quote for 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-Tribromo-5-Methylbenzene-1,2-Diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.