Butyl 5-oxocyclopent-1-ene-1-heptanoate
TL;DR: Butyl 5-oxocyclopent-1-ene-1-heptanoate (CAS 52477-97-1) is a chemical compound with molecular formula C16H26O3 and molecular weight 266.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 7-(5-oxocyclopenten-1-yl)heptanoate
Also Known As: Butyl 5-oxocyclopent-1-ene-1-heptanoate, butyl 7-(5-oxocyclopent-1-en-1-yl)heptanoate, butyl 7-(5-oxocyclopenten-1-yl)heptanoate, butyl5-oxocyclopent-1-ene-1-heptanoate, butyl 7-(5-oxo-1-cyclopenten-1-yl)heptanoate
| Molecular Formula | C16H26O3 |
|---|---|
| Molecular Weight | 266.19 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 266.1882 |
| Heavy Atoms | 19 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 52477-97-1 |
|---|---|
| SMILES | CCCCOC(=O)CCCCCCC1=CCCC1=O |
| InChIKey | IQOYCLGKUZQIQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 5-oxocyclopent-1-ene-1-heptanoate (CAS 52477-97-1), with molecular formula C16H26O3 and molecular weight 266.19 g/mol. IUPAC: butyl 7-(5-oxocyclopenten-1-yl)heptanoate.
Chemical Property Profile of Butyl 5-oxocyclopent-1-ene-1-heptanoate
Property Insights of Butyl 5-oxocyclopent-1-ene-1-heptanoate
The XLogP value of 3.9 indicates that Butyl 5-oxocyclopent-1-ene-1-heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Butyl 5-oxocyclopent-1-ene-1-heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 5-oxocyclopent-1-ene-1-heptanoate 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 Butyl 5-oxocyclopent-1-ene-1-heptanoate?
The CAS number of Butyl 5-oxocyclopent-1-ene-1-heptanoate is 52477-97-1.
What is the molecular formula of Butyl 5-oxocyclopent-1-ene-1-heptanoate?
The molecular formula of Butyl 5-oxocyclopent-1-ene-1-heptanoate is C16H26O3.
What is the molecular weight of Butyl 5-oxocyclopent-1-ene-1-heptanoate?
The molecular weight of Butyl 5-oxocyclopent-1-ene-1-heptanoate is 266.19 g/mol.
Where can I buy Butyl 5-oxocyclopent-1-ene-1-heptanoate?
You can request a quote for Butyl 5-oxocyclopent-1-ene-1-heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 5-oxocyclopent-1-ene-1-heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 5-oxocyclopent-1-ene-1-heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.