4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione
TL;DR: 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione (CAS 167545-33-7) is a chemical compound with molecular formula C13H24O2 and molecular weight 212.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione
Also Known As: 4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione, 3,5-Heptanedione, 4-ethyl-2,2,6,6-tetramethyl-, 4-Ethyl-2,2,6,6-tetramethyl-3,5-heptanedione, 4-Ethyl-2,2,6,6-tetramethyl-3,5-heptanedione #
| Molecular Formula | C13H24O2 |
|---|---|
| Molecular Weight | 212.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.17763 |
| Heavy Atoms | 15 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 167545-33-7 |
|---|---|
| SMILES | CCC(C(=O)C(C)(C)C)C(=O)C(C)(C)C |
| InChIKey | JKEWQMMYIOHEBI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione (CAS 167545-33-7), with molecular formula C13H24O2 and molecular weight 212.18 g/mol. IUPAC: 4-ethyl-2,2,6,6-tetramethylheptane-3,5-dione.
Chemical Property Profile of 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione
Property Insights of 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione
The XLogP value of 3.5 indicates that 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-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, 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-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 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione?
The CAS number of 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione is 167545-33-7.
What is the molecular formula of 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione?
The molecular formula of 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione is C13H24O2.
What is the molecular weight of 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione?
The molecular weight of 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione is 212.18 g/mol.
Where can I buy 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione?
You can request a quote for 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-2,2,6,6-tetramethylheptane-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.