Cyclopentyl 3-oxobutanoate
TL;DR: Cyclopentyl 3-oxobutanoate (CAS 74266-66-3) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 3-oxobutanoate
Also Known As: cyclopentyl 3-oxobutanoate, cyclopentyl acetoacetate, acetoacetic acid cyclopentyl ester, cyclopentyl 3-oxo-butanoate, 3-oxo-butyric acid cyclopentyl ester
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 74266-66-3 |
|---|---|
| SMILES | CC(=O)CC(=O)OC1CCCC1 |
| InChIKey | UGZNCYLVFNJCGV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopentyl 3-oxobutanoate (CAS 74266-66-3), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: cyclopentyl 3-oxobutanoate.
Chemical Property Profile of Cyclopentyl 3-oxobutanoate
Property Insights of Cyclopentyl 3-oxobutanoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentyl 3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Cyclopentyl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentyl 3-oxobutanoate 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 Cyclopentyl 3-oxobutanoate?
The CAS number of Cyclopentyl 3-oxobutanoate is 74266-66-3.
What is the molecular formula of Cyclopentyl 3-oxobutanoate?
The molecular formula of Cyclopentyl 3-oxobutanoate is C9H14O3.
What is the molecular weight of Cyclopentyl 3-oxobutanoate?
The molecular weight of Cyclopentyl 3-oxobutanoate is 170.09 g/mol.
Where can I buy Cyclopentyl 3-oxobutanoate?
You can request a quote for Cyclopentyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.