4-Oxocyclopent-2-en-1-yl acetate
TL;DR: 4-Oxocyclopent-2-en-1-yl acetate (CAS 59995-48-1) 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.
(4-oxocyclopent-2-en-1-yl) acetate
Also Known As: 4-oxocyclopent-2-en-1-yl acetate, 4-Oxocyclopent-2-enyl acetate, (4-oxocyclopent-2-en-1-yl) acetate, 4-oxo-2-cyclopentenyl acetate, 4-acetoxycyclopent-2-en-1-one
| Molecular Formula | C7H8O3 |
|---|---|
| Molecular Weight | 140.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.04735 |
| Heavy Atoms | 10 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 59995-48-1 |
|---|---|
| SMILES | CC(=O)OC1CC(=O)C=C1 |
| InChIKey | YNCKAQVPQJWLJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxocyclopent-2-en-1-yl acetate (CAS 59995-48-1), with molecular formula C7H8O3 and molecular weight 140.05 g/mol. IUPAC: (4-oxocyclopent-2-en-1-yl) acetate.
Chemical Property Profile of 4-Oxocyclopent-2-en-1-yl acetate
Property Insights of 4-Oxocyclopent-2-en-1-yl acetate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxocyclopent-2-en-1-yl acetate. With a topological polar surface area (TPSA) of 43.4 Ų, 4-Oxocyclopent-2-en-1-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxocyclopent-2-en-1-yl acetate 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 4-Oxocyclopent-2-en-1-yl acetate?
The CAS number of 4-Oxocyclopent-2-en-1-yl acetate is 59995-48-1.
What is the molecular formula of 4-Oxocyclopent-2-en-1-yl acetate?
The molecular formula of 4-Oxocyclopent-2-en-1-yl acetate is C7H8O3.
What is the molecular weight of 4-Oxocyclopent-2-en-1-yl acetate?
The molecular weight of 4-Oxocyclopent-2-en-1-yl acetate is 140.05 g/mol.
Where can I buy 4-Oxocyclopent-2-en-1-yl acetate?
You can request a quote for 4-Oxocyclopent-2-en-1-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxocyclopent-2-en-1-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxocyclopent-2-en-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.