2-Isobutyl-p-benzoquinone
TL;DR: 2-Isobutyl-p-benzoquinone (CAS 4197-79-9) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropyl)cyclohexa-2,5-diene-1,4-dione
Also Known As: 2-Isobutyl-p-benzoquinone, 2-isobutyl-1,4-benzoquinone, 2-(2-methylpropyl)cyclohexa-2,5-diene-1,4-dione, 2-isobutylcyclohexa-2,5-diene-1,4-dione, 2-(2-Methylpropyl)-2,5-cyclohexadiene-1,4-dione
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 4197-79-9 |
|---|---|
| SMILES | CC(C)CC1=CC(=O)C=CC1=O |
| InChIKey | OHNSLFRMOCCULR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isobutyl-p-benzoquinone (CAS 4197-79-9), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 2-(2-methylpropyl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Isobutyl-p-benzoquinone
Property Insights of 2-Isobutyl-p-benzoquinone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isobutyl-p-benzoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2-Isobutyl-p-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobutyl-p-benzoquinone 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-Isobutyl-p-benzoquinone?
The CAS number of 2-Isobutyl-p-benzoquinone is 4197-79-9.
What is the molecular formula of 2-Isobutyl-p-benzoquinone?
The molecular formula of 2-Isobutyl-p-benzoquinone is C10H12O2.
What is the molecular weight of 2-Isobutyl-p-benzoquinone?
The molecular weight of 2-Isobutyl-p-benzoquinone is 164.08 g/mol.
Where can I buy 2-Isobutyl-p-benzoquinone?
You can request a quote for 2-Isobutyl-p-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutyl-p-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutyl-p-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.