3-Ethyl-2-hydroxy-2-cyclopenten-1-one
TL;DR: 3-Ethyl-2-hydroxy-2-cyclopenten-1-one (CAS 21835-01-8) 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-ethyl-2-hydroxycyclopent-2-en-1-one
Also Known As: 3-ETHYL-2-HYDROXY-2-CYCLOPENTEN-1-ONE, Ethylcyclotene, 3-Ethyl-2-hydroxycyclopent-2-en-1-one, 2-Cyclopenten-1-one, 3-ethyl-2-hydroxy-, coffee pentenolone
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 168.0 |
| Melting Point | 38 - 40 °C |
| Boiling Point | 78.00 to 80.00 °C. @ 4.00 mm Hg |
| Density | 1.060-1.066 |
| Solubility | miscible with alcohol, glycerol, benzyl alcohol and water |
| Refractive Index | 1.470-1.480 (25°) |
Chemical Identifiers
| CAS Number | 21835-01-8 |
|---|---|
| SMILES | CCC1=C(C(=O)CC1)O |
| InChIKey | JHWFWLUAUPZUCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Ethyl-2-hydroxy-2-cyclopenten-1-one (CAS 21835-01-8), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 3-ethyl-2-hydroxycyclopent-2-en-1-one.
Chemical Property Profile of 3-Ethyl-2-hydroxy-2-cyclopenten-1-one
Property Insights of 3-Ethyl-2-hydroxy-2-cyclopenten-1-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-2-hydroxy-2-cyclopenten-1-one. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Ethyl-2-hydroxy-2-cyclopenten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-hydroxy-2-cyclopenten-1-one has 1 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-Ethyl-2-hydroxy-2-cyclopenten-1-one?
The CAS number of 3-Ethyl-2-hydroxy-2-cyclopenten-1-one is 21835-01-8.
What is the molecular formula of 3-Ethyl-2-hydroxy-2-cyclopenten-1-one?
The molecular formula of 3-Ethyl-2-hydroxy-2-cyclopenten-1-one is C7H10O2.
What is the molecular weight of 3-Ethyl-2-hydroxy-2-cyclopenten-1-one?
The molecular weight of 3-Ethyl-2-hydroxy-2-cyclopenten-1-one is 126.07 g/mol.
Where can I buy 3-Ethyl-2-hydroxy-2-cyclopenten-1-one?
You can request a quote for 3-Ethyl-2-hydroxy-2-cyclopenten-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-2-hydroxy-2-cyclopenten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-2-hydroxy-2-cyclopenten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.