5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione
TL;DR: 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione (CAS 468-62-2) is a chemical compound with molecular formula C20H28O4 and molecular weight 332.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-methylbutanoyl)-3,3-bis(3-methylbut-2-enyl)cyclopentane-1,2,4-trione
Also Known As: Hulupone, 3,3-bis -5-1,2,4-cyclopentanetrione, 3,3-Bis -5- -1,2,4-cyclopentanetrione, 1,2,4-Cyclopentanetrione, 5-isovaleryl-3,3-bis(3-methyl-2-butenyl)-, 1,2,4-Cyclopentanetrione, 3,3-bis(3-methyl-2-butenyl)-5-(3-methyl-1-oxobutyl)-
| Molecular Formula | C20H28O4 |
|---|---|
| Molecular Weight | 332.20 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 332.19876 |
| Heavy Atoms | 24 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 468-62-2 |
|---|---|
| SMILES | CC(C)CC(=O)C1C(=O)C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C |
| InChIKey | SGJIYESRGDTFSD-UHFFFAOYSA-N |
Product Overview
5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione (CAS 468-62-2), with molecular formula C20H28O4 and molecular weight 332.20 g/mol. IUPAC: 5-(3-methylbutanoyl)-3,3-bis(3-methylbut-2-enyl)cyclopentane-1,2,4-trione.
Chemical Property Profile of 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione
Property Insights of 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione
The XLogP value of 4.4 indicates that 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione. Following Lipinski's Rule of Five, 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione has 0 hydrogen bond donor(s) and 4 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 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione?
The CAS number of 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione is 468-62-2.
What is the molecular formula of 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione?
The molecular formula of 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione is C20H28O4.
What is the molecular weight of 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione?
The molecular weight of 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione is 332.20 g/mol.
Where can I buy 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione?
You can request a quote for 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Methylbutanoyl)-3,3-bis(3-methyl-2-butenyl)-1,2,4-cyclopentanetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.