1,2-Cyclopentanedione, 3-ethyl-
TL;DR: 1,2-Cyclopentanedione, 3-ethyl- (CAS 13494-08-1) 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-ethylcyclopentane-1,2-dione
Also Known As: 3-Ethylcyclopentane-1,2-dione, 1,2-Cyclopentanedione, 3-ethyl-, 3-Ethyl-1,2-cyclopentadione, 3-Ethylcyclopentene-1,2-dione, 3-ETHYL-1,2-CYCLOPENTANEDIONE
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 13494-08-1 |
|---|---|
| SMILES | CCC1CCC(=O)C1=O |
| InChIKey | RRVYBPVLSILURP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Cyclopentanedione, 3-ethyl- (CAS 13494-08-1), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 3-ethylcyclopentane-1,2-dione.
Chemical Property Profile of 1,2-Cyclopentanedione, 3-ethyl-
Property Insights of 1,2-Cyclopentanedione, 3-ethyl-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Cyclopentanedione, 3-ethyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,2-Cyclopentanedione, 3-ethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Cyclopentanedione, 3-ethyl- 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 1,2-Cyclopentanedione, 3-ethyl-?
The CAS number of 1,2-Cyclopentanedione, 3-ethyl- is 13494-08-1.
What is the molecular formula of 1,2-Cyclopentanedione, 3-ethyl-?
The molecular formula of 1,2-Cyclopentanedione, 3-ethyl- is C7H10O2.
What is the molecular weight of 1,2-Cyclopentanedione, 3-ethyl-?
The molecular weight of 1,2-Cyclopentanedione, 3-ethyl- is 126.07 g/mol.
Where can I buy 1,2-Cyclopentanedione, 3-ethyl-?
You can request a quote for 1,2-Cyclopentanedione, 3-ethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Cyclopentanedione, 3-ethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Cyclopentanedione, 3-ethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.