3,5-Heptanedione, 2,4,6-trimethyl-
TL;DR: 3,5-Heptanedione, 2,4,6-trimethyl- (CAS 642475-10-3) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-trimethylheptane-3,5-dione
Also Known As: 2,4,6-trimethylheptane-3,5-dione, 3,5-Heptanedione, 2,4,6-trimethyl-, 3,5-Heptanedione, 2,4,6-trimethyl, 3,5-Heptanedione,2,4,6-trimethyl, 2,4,6-Trimethyl-3,5-heptanedione #
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 642475-10-3 |
|---|---|
| SMILES | CC(C)C(=O)C(C)C(=O)C(C)C |
| InChIKey | WPTZNYNYUKBMIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Heptanedione, 2,4,6-trimethyl- (CAS 642475-10-3), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 2,4,6-trimethylheptane-3,5-dione.
Chemical Property Profile of 3,5-Heptanedione, 2,4,6-trimethyl-
Property Insights of 3,5-Heptanedione, 2,4,6-trimethyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Heptanedione, 2,4,6-trimethyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 3,5-Heptanedione, 2,4,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Heptanedione, 2,4,6-trimethyl- 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-Heptanedione, 2,4,6-trimethyl-?
The CAS number of 3,5-Heptanedione, 2,4,6-trimethyl- is 642475-10-3.
What is the molecular formula of 3,5-Heptanedione, 2,4,6-trimethyl-?
The molecular formula of 3,5-Heptanedione, 2,4,6-trimethyl- is C10H18O2.
What is the molecular weight of 3,5-Heptanedione, 2,4,6-trimethyl-?
The molecular weight of 3,5-Heptanedione, 2,4,6-trimethyl- is 170.13 g/mol.
Where can I buy 3,5-Heptanedione, 2,4,6-trimethyl-?
You can request a quote for 3,5-Heptanedione, 2,4,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Heptanedione, 2,4,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Heptanedione, 2,4,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.