3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione
TL;DR: 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione (CAS 6296-80-6) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(2-methylpropyl)cyclohexane-1,2-dione
Also Known As: 3,5-bis(2-methylpropyl)cyclohexane-1,2-dione, 1,2-Cyclohexanedione,3,5-bis(1-methylpropyl), 1,2-Cyclohexanedione,3,5-bis(1-methylpropyl)-
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 6296-80-6 |
|---|---|
| SMILES | CC(C)CC1CC(C(=O)C(=O)C1)CC(C)C |
| InChIKey | YCICYKYPPBIUMJ-UHFFFAOYSA-N |
Product Overview
3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione (CAS 6296-80-6), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: 3,5-bis(2-methylpropyl)cyclohexane-1,2-dione.
Chemical Property Profile of 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione
Property Insights of 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione
The XLogP value of 3.4 indicates that 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(2-methylpropyl)cyclohexane-1,2-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 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione?
The CAS number of 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione is 6296-80-6.
What is the molecular formula of 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione?
The molecular formula of 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione is C14H24O2.
What is the molecular weight of 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione?
The molecular weight of 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione is 224.18 g/mol.
Where can I buy 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione?
You can request a quote for 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(2-methylpropyl)cyclohexane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.