Me-triCl-p-benzoquinone radical
TL;DR: Me-triCl-p-benzoquinone radical (CAS 459211-06-4) is a chemical compound with molecular formula C7H3Cl3O2 and molecular weight 223.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5-trichloro-6-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: Me-triCl-p-benzoquinone radical, 2,4,5-trichloro-3,6-toluquinone, 2,3,5-trichloro-6-methylcyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trichloro-6-methyl-, 3-(Butylthio)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine
| Molecular Formula | C7H3Cl3O2 |
|---|---|
| Molecular Weight | 223.92 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 223.91986 |
| Heavy Atoms | 12 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 459211-06-4 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)Cl)Cl)Cl |
| InChIKey | ZBWPOKNIKGLQBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Me-triCl-p-benzoquinone radical (CAS 459211-06-4), with molecular formula C7H3Cl3O2 and molecular weight 223.92 g/mol. IUPAC: 2,3,5-trichloro-6-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Me-triCl-p-benzoquinone radical
Property Insights of Me-triCl-p-benzoquinone radical
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Me-triCl-p-benzoquinone radical. With a topological polar surface area (TPSA) of 34.1 Ų, Me-triCl-p-benzoquinone radical exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Me-triCl-p-benzoquinone radical has 0 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 Me-triCl-p-benzoquinone radical?
The CAS number of Me-triCl-p-benzoquinone radical is 459211-06-4.
What is the molecular formula of Me-triCl-p-benzoquinone radical?
The molecular formula of Me-triCl-p-benzoquinone radical is C7H3Cl3O2.
What is the molecular weight of Me-triCl-p-benzoquinone radical?
The molecular weight of Me-triCl-p-benzoquinone radical is 223.92 g/mol.
Where can I buy Me-triCl-p-benzoquinone radical?
You can request a quote for Me-triCl-p-benzoquinone radical directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Me-triCl-p-benzoquinone radical?
Yes, KEHONG BIO provides custom synthesis services for Me-triCl-p-benzoquinone radical and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.