1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate
TL;DR: 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate (CAS 64046-60-2) is a chemical compound with molecular formula C11H9Br3O4 and molecular weight 441.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-2,4,6-tribromo-5-methylphenyl) acetate
Also Known As: 3,5-Diacetoxy-2,4,6-tribromotoluene, 2,4,6-tribromo-5-methyl-1,3-phenylene diacetate, 2,4,6-Tribromo-5-methyl-1,3-benzenediol diacetate, 3,5-Diacetoxy-2,4,6-tribrom-toluol, 3,5-diacetoxy-2,4,6-tribromo-toluene
| Molecular Formula | C11H9Br3O4 |
|---|---|
| Molecular Weight | 441.81 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.80304 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 64046-60-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1Br)OC(=O)C)Br)OC(=O)C)Br |
| InChIKey | ONFBTDBRSKIGQF-UHFFFAOYSA-N |
Product Overview
1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate (CAS 64046-60-2), with molecular formula C11H9Br3O4 and molecular weight 441.81 g/mol. IUPAC: (3-acetyloxy-2,4,6-tribromo-5-methylphenyl) acetate.
Chemical Property Profile of 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate
Property Insights of 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate
The XLogP value of 3.9 indicates that 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate has 0 hydrogen bond donor(s) and 4 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 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate?
The CAS number of 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate is 64046-60-2.
What is the molecular formula of 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate?
The molecular formula of 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate is C11H9Br3O4.
What is the molecular weight of 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate?
The molecular weight of 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate is 441.81 g/mol.
Where can I buy 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate?
You can request a quote for 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediol, 2,4,6-tribromo-5-methyl-, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.