Butyl 2-oxocyclopentanecarboxylate
TL;DR: Butyl 2-oxocyclopentanecarboxylate (CAS 7461-60-1) is a chemical compound with molecular formula C10H16O3 and molecular weight 184.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-oxocyclopentane-1-carboxylate
Also Known As: butyl 2-oxocyclopentanecarboxylate, butyl 2-oxocyclopentane-1-carboxylate, Butylcyclopentanone-2-carboxylic acid, Butyl 2-Cyclopentanone-1-Carboxylate, butyl cyclopentan-2-one-1-carboxylate
| Molecular Formula | C10H16O3 |
|---|---|
| Molecular Weight | 184.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.10994 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 7461-60-1 |
|---|---|
| SMILES | CCCCOC(=O)C1CCCC1=O |
| InChIKey | QYSLBQOEWQZYPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2-oxocyclopentanecarboxylate (CAS 7461-60-1), with molecular formula C10H16O3 and molecular weight 184.11 g/mol. IUPAC: butyl 2-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Butyl 2-oxocyclopentanecarboxylate
Property Insights of Butyl 2-oxocyclopentanecarboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 2-oxocyclopentanecarboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Butyl 2-oxocyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2-oxocyclopentanecarboxylate 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 2-oxocyclopentanecarboxylate?
The CAS number of Butyl 2-oxocyclopentanecarboxylate is 7461-60-1.
What is the molecular formula of Butyl 2-oxocyclopentanecarboxylate?
The molecular formula of Butyl 2-oxocyclopentanecarboxylate is C10H16O3.
What is the molecular weight of Butyl 2-oxocyclopentanecarboxylate?
The molecular weight of Butyl 2-oxocyclopentanecarboxylate is 184.11 g/mol.
Where can I buy Butyl 2-oxocyclopentanecarboxylate?
You can request a quote for Butyl 2-oxocyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2-oxocyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2-oxocyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.