2,2,4,6,6-Pentamethyl-3,5-heptanedione
TL;DR: 2,2,4,6,6-Pentamethyl-3,5-heptanedione (CAS 6327-22-6) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4,6,6-pentamethylheptane-3,5-dione
Also Known As: 2,2,4,6,6-pentamethylheptane-3,5-dione, 2,2,4,6,6-Pentamethyl-3,5-heptanedione, 2,2,4,6,6-Pentamethyl-3,5-heptanedione #, 3,5-Heptanedione, 2,2,4,6,6-pentamethyl-, 662-340-1
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 6327-22-6 |
|---|---|
| SMILES | CC(C(=O)C(C)(C)C)C(=O)C(C)(C)C |
| InChIKey | WMZURKKTJQPBOJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4,6,6-Pentamethyl-3,5-heptanedione (CAS 6327-22-6), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 2,2,4,6,6-pentamethylheptane-3,5-dione.
Chemical Property Profile of 2,2,4,6,6-Pentamethyl-3,5-heptanedione
Property Insights of 2,2,4,6,6-Pentamethyl-3,5-heptanedione
The XLogP value of 3.2 indicates that 2,2,4,6,6-Pentamethyl-3,5-heptanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 2,2,4,6,6-Pentamethyl-3,5-heptanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4,6,6-Pentamethyl-3,5-heptanedione 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 2,2,4,6,6-Pentamethyl-3,5-heptanedione?
The CAS number of 2,2,4,6,6-Pentamethyl-3,5-heptanedione is 6327-22-6.
What is the molecular formula of 2,2,4,6,6-Pentamethyl-3,5-heptanedione?
The molecular formula of 2,2,4,6,6-Pentamethyl-3,5-heptanedione is C12H22O2.
What is the molecular weight of 2,2,4,6,6-Pentamethyl-3,5-heptanedione?
The molecular weight of 2,2,4,6,6-Pentamethyl-3,5-heptanedione is 198.16 g/mol.
Where can I buy 2,2,4,6,6-Pentamethyl-3,5-heptanedione?
You can request a quote for 2,2,4,6,6-Pentamethyl-3,5-heptanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4,6,6-Pentamethyl-3,5-heptanedione?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4,6,6-Pentamethyl-3,5-heptanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.