2,4,6-庚三酮
TL;DR: 2,4,6-庚三酮 (CAS 626-53-9) is a chemical compound with molecular formula C7H10O3 and molecular weight 142.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-庚三酮
heptane-2,4,6-trione
Also Known As: Diacetylacetone, heptane-2,4,6-trione, 2,4,6-HEPTANETRIONE, 1,3-Diacetylacetone, 2,4,6-Heptatrione
| Molecular Formula | C7H10O3 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.06299 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 626-53-9 |
|---|---|
| SMILES | CC(=O)CC(=O)CC(=O)C |
| InChIKey | CTHCTLCNUREAJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-庚三酮 (CAS 626-53-9), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: heptane-2,4,6-trione.
Chemical Property Profile of 2,4,6-庚三酮
Property Insights of 2,4,6-庚三酮
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-庚三酮. With a topological polar surface area (TPSA) of 51.2 Ų, 2,4,6-庚三酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-庚三酮 has 0 hydrogen bond donor(s) and 3 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 2,4,6-庚三酮?
The CAS number of 2,4,6-庚三酮 is 626-53-9.
What is the molecular formula of 2,4,6-庚三酮?
The molecular formula of 2,4,6-庚三酮 is C7H10O3.
What is the molecular weight of 2,4,6-庚三酮?
The molecular weight of 2,4,6-庚三酮 is 142.06 g/mol.
Where can I buy 2,4,6-庚三酮?
You can request a quote for 2,4,6-庚三酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-庚三酮?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-庚三酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.