3,5-Dimethyl-1,2-cyclopentanedione
TL;DR: 3,5-Dimethyl-1,2-cyclopentanedione (CAS 13494-07-0) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethylcyclopentane-1,2-dione
Also Known As: Caramel, 3,5-Dimethyl-1,2-cyclopentanedione, 3,5-Dimethylcyclopentane-1,2-dione, 3,5-Dimethyl-1,2-cyclopentadione, null
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 142.0 |
| Melting Point | 91 - 92 °C |
| Density | 0.5 g/ml at 20° |
| Solubility | insoluble in water |
Chemical Identifiers
| CAS Number | 13494-07-0 |
|---|---|
| SMILES | CC1CC(C(=O)C1=O)C |
| InChIKey | MIDXCONKKJTLDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-1,2-cyclopentanedione (CAS 13494-07-0), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 3,5-dimethylcyclopentane-1,2-dione.
Chemical Property Profile of 3,5-Dimethyl-1,2-cyclopentanedione
Property Insights of 3,5-Dimethyl-1,2-cyclopentanedione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-1,2-cyclopentanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 3,5-Dimethyl-1,2-cyclopentanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethyl-1,2-cyclopentanedione 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 3,5-Dimethyl-1,2-cyclopentanedione?
The CAS number of 3,5-Dimethyl-1,2-cyclopentanedione is 13494-07-0.
What is the molecular formula of 3,5-Dimethyl-1,2-cyclopentanedione?
The molecular formula of 3,5-Dimethyl-1,2-cyclopentanedione is C7H10O2.
What is the molecular weight of 3,5-Dimethyl-1,2-cyclopentanedione?
The molecular weight of 3,5-Dimethyl-1,2-cyclopentanedione is 126.07 g/mol.
Where can I buy 3,5-Dimethyl-1,2-cyclopentanedione?
You can request a quote for 3,5-Dimethyl-1,2-cyclopentanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1,2-cyclopentanedione?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1,2-cyclopentanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.