三乙酰基甲烷
TL;DR: 三乙酰基甲烷 (CAS 815-68-9) 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.
三乙酰基甲烷
3-acetylpentane-2,4-dione
Also Known As: Triacetylmethane, Diacetylacetone, Methine triacetate, 3-acetylpentane-2,4-dione, Diacetylaceton
| Molecular Formula | C7H10O3 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.06299 |
| Heavy Atoms | 10 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 815-68-9 |
|---|---|
| SMILES | CC(=O)C(C(=O)C)C(=O)C |
| InChIKey | AUZFRUHVDNDVJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
三乙酰基甲烷 (CAS 815-68-9), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: 3-acetylpentane-2,4-dione.
Chemical Property Profile of 三乙酰基甲烷
Property Insights of 三乙酰基甲烷
The XLogP value of -0.2 indicates that 三乙酰基甲烷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.2 Ų, 三乙酰基甲烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 三乙酰基甲烷 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 三乙酰基甲烷?
The CAS number of 三乙酰基甲烷 is 815-68-9.
What is the molecular formula of 三乙酰基甲烷?
The molecular formula of 三乙酰基甲烷 is C7H10O3.
What is the molecular weight of 三乙酰基甲烷?
The molecular weight of 三乙酰基甲烷 is 142.06 g/mol.
Where can I buy 三乙酰基甲烷?
You can request a quote for 三乙酰基甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三乙酰基甲烷?
Yes, KEHONG BIO provides custom synthesis services for 三乙酰基甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.