4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone
TL;DR: 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone (CAS 60845-43-4) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-4-propan-2-ylcyclohexa-2,5-dien-1-one
Also Known As: 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone, 4-Isopropyl-3,4-dimethyl-cyclohexa-2,5-dien-1-on, 3,4-dimethyl-4-propan-2-ylcyclohexa-2,5-dien-1-one, 4-Isopropyl-3,4-dimethyl-2,5-cyclohexadien-1-one #
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 60845-43-4 |
|---|---|
| SMILES | CC1=CC(=O)C=CC1(C)C(C)C |
| InChIKey | JGIJYQIFJVTMPV-UHFFFAOYSA-N |
Product Overview
4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone (CAS 60845-43-4), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 3,4-dimethyl-4-propan-2-ylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone
Property Insights of 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone has 0 hydrogen bond donor(s) and 1 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 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone?
The CAS number of 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone is 60845-43-4.
What is the molecular formula of 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone?
The molecular formula of 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone is C11H16O.
What is the molecular weight of 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone?
The molecular weight of 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone is 164.12 g/mol.
Where can I buy 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone?
You can request a quote for 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropyl-3,4-dimethylcyclohexa-2,5-dienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.