Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester
TL;DR: Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester (CAS 41301-56-8) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-oxocyclopentyl)butanoate
Also Known As: Ethyl 4-(2-oxocyclopentyl)butanoate, 2-(3-carbethoxypropyl)cyclopentanone, 3-carbethoxypropylcyclopentan-1-one, Ethyl 4-(2-oxocyclopentyl)butanoate #, 2-(3-carbethoxypropyl)cyclopentan-1-one
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 41301-56-8 |
|---|---|
| SMILES | CCOC(=O)CCCC1CCCC1=O |
| InChIKey | PXEGWANUQPGSFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester (CAS 41301-56-8), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: ethyl 4-(2-oxocyclopentyl)butanoate.
Chemical Property Profile of Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester
Property Insights of Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester 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 Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester?
The CAS number of Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester is 41301-56-8.
What is the molecular formula of Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester?
The molecular formula of Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester is C11H18O3.
What is the molecular weight of Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester?
The molecular weight of Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester is 198.13 g/mol.
Where can I buy Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester?
You can request a quote for Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4-(2-oxocyclopentyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.