2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)-
TL;DR: 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)- (CAS 65548-56-3) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclohepta-2,4,6-trien-1-ylpentane-2,4-dione
Also Known As: 7-Tropyl-acetylaceton, 3-(2,4,6-Cycloheptatrien-1-yl)-2,4-pentanedione, 3-cyclohepta-2,4,6-trien-1-ylpentane-2,4-dione, J1.398.572C, 3-(2,4,6-Cycloheptatrienyl)-2,4-pentanedione
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 65548-56-3 |
|---|---|
| SMILES | CC(=O)C(C1C=CC=CC=C1)C(=O)C |
| InChIKey | YWNYRHVJXKBAJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)- (CAS 65548-56-3), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 3-cyclohepta-2,4,6-trien-1-ylpentane-2,4-dione.
Chemical Property Profile of 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)-
Property Insights of 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)-. With a topological polar surface area (TPSA) of 34.1 Ų, 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)- 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 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)-?
The CAS number of 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)- is 65548-56-3.
What is the molecular formula of 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)-?
The molecular formula of 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)- is C12H14O2.
What is the molecular weight of 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)-?
The molecular weight of 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)- is 190.10 g/mol.
Where can I buy 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)-?
You can request a quote for 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Pentanedione, 3-(2,4,6-cycloheptatrien-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.