2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone
TL;DR: 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone (CAS 78525-33-4) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-5-methyl-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2-Isopropyl-3-methoxy-5-methyl-1,4-benzoquinone, 2-isopropyl-3-methoxy-5-methylbenzo-1,4-quinone, J2.108.297J, 3-methoxy-5-methyl-2-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione, 3-methoxy-5-methyl-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 78525-33-4 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(C1=O)OC)C(C)C |
| InChIKey | IZFIBRMTHIYADJ-UHFFFAOYSA-N |
Product Overview
2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone (CAS 78525-33-4), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 3-methoxy-5-methyl-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone
Property Insights of 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone has 0 hydrogen bond donor(s) and 3 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-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone?
The CAS number of 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone is 78525-33-4.
What is the molecular formula of 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone?
The molecular formula of 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone is C11H14O3.
What is the molecular weight of 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone?
The molecular weight of 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone is 194.09 g/mol.
Where can I buy 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone?
You can request a quote for 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-3-methoxy-5-methylbenzo-1,4-quinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.