3,3-Dimethyl-1,2,4-cyclopentanetrione
TL;DR: 3,3-Dimethyl-1,2,4-cyclopentanetrione (CAS 17530-56-2) is a chemical compound with molecular formula C7H8O3 and molecular weight 140.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylcyclopentane-1,2,4-trione
Also Known As: 3,3-dimethylcyclopentane-1,2,4-trione, 3,3-Dimethyl-1,2,4-cyclopentanetrione, 1,2,4-Cyclopentanetrione, 3,3-dimethyl-, 3,3-Dimethyl-1,2,4-cyclopentanetrione #, RefChem:270325
| Molecular Formula | C7H8O3 |
|---|---|
| Molecular Weight | 140.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.04735 |
| Heavy Atoms | 10 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 17530-56-2 |
|---|---|
| SMILES | CC1(C(=O)CC(=O)C1=O)C |
| InChIKey | DUZUQSHHUJPSOG-UHFFFAOYSA-N |
Product Overview
3,3-Dimethyl-1,2,4-cyclopentanetrione (CAS 17530-56-2), with molecular formula C7H8O3 and molecular weight 140.05 g/mol. IUPAC: 3,3-dimethylcyclopentane-1,2,4-trione.
Chemical Property Profile of 3,3-Dimethyl-1,2,4-cyclopentanetrione
Property Insights of 3,3-Dimethyl-1,2,4-cyclopentanetrione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1,2,4-cyclopentanetrione. With a topological polar surface area (TPSA) of 51.2 Ų, 3,3-Dimethyl-1,2,4-cyclopentanetrione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1,2,4-cyclopentanetrione 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 3,3-Dimethyl-1,2,4-cyclopentanetrione?
The CAS number of 3,3-Dimethyl-1,2,4-cyclopentanetrione is 17530-56-2.
What is the molecular formula of 3,3-Dimethyl-1,2,4-cyclopentanetrione?
The molecular formula of 3,3-Dimethyl-1,2,4-cyclopentanetrione is C7H8O3.
What is the molecular weight of 3,3-Dimethyl-1,2,4-cyclopentanetrione?
The molecular weight of 3,3-Dimethyl-1,2,4-cyclopentanetrione is 140.05 g/mol.
Where can I buy 3,3-Dimethyl-1,2,4-cyclopentanetrione?
You can request a quote for 3,3-Dimethyl-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 3,3-Dimethyl-1,2,4-cyclopentanetrione?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1,2,4-cyclopentanetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.