1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl-
TL;DR: 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl- (CAS 957-61-9) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylbutanoyl)-4-(3-methylbutyl)cyclopentane-1,3-dione
Also Known As: 4- -2- -1,3-cyclopentanedione, 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl-, 2-(3-methylbutanoyl)-4-(3-methylbutyl)cyclopentane-1,3-dione, 2-isovaleroyl-4-(3-methylbutyl)-cyclopentane-1,3-dione, 4-isopentyl-2-(3-methylbutanoyl)cyclopentane-1,3-dione
| Molecular Formula | C15H24O3 |
|---|---|
| Molecular Weight | 252.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.17255 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 957-61-9 |
|---|---|
| SMILES | CC(C)CCC1CC(=O)C(C1=O)C(=O)CC(C)C |
| InChIKey | VMUDGBBFFNJVOG-UHFFFAOYSA-N |
Product Overview
1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl- (CAS 957-61-9), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: 2-(3-methylbutanoyl)-4-(3-methylbutyl)cyclopentane-1,3-dione.
Chemical Property Profile of 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl-
Property Insights of 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl-
The XLogP value of 3.1 indicates that 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl- 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 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl-?
The CAS number of 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl- is 957-61-9.
What is the molecular formula of 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl-?
The molecular formula of 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl- is C15H24O3.
What is the molecular weight of 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl-?
The molecular weight of 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl- is 252.17 g/mol.
Where can I buy 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl-?
You can request a quote for 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclopentanedione, 4-isopentyl-2-isovaleryl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.