2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
TL;DR: 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione (CAS 60404-95-7) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,5-trimethyl-6-(2-methylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione, 3,5,6-trimethyl-2-(2-methyl-2-propenyl)-1,4-benzoquinone, 2,3,5-trimethyl-6-(2-methylprop-2-enyl)cyclohexa-2,5-diene-1, 2,3,5-trimethyl-6-(2-methylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione, RefChem:244215
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 60404-95-7 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)C)CC(=C)C)C |
| InChIKey | KHEDCWLAEULZNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione (CAS 60404-95-7), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 2,3,5-trimethyl-6-(2-methylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
Property Insights of 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione 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 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione?
The CAS number of 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione is 60404-95-7.
What is the molecular formula of 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione is C13H16O2.
What is the molecular weight of 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione is 204.12 g/mol.
Where can I buy 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,3,5-Trimethyl-6-(2-methylprop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.