Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester
TL;DR: Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester (CAS 7424-85-3) 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.
ethyl 3-methyl-2-oxocyclopentane-1-carboxylate
Also Known As: Ethyl 3-methyl-2-oxocyclopentanecarboxylate, 2-carboethoxy-5-methyl-cyclopentanone, ethyl 3-methyl-2-oxocyclopentane-1-carboxylate, 2-carbethoxy-5-methylcyclopentanone, Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 7424-85-3 |
|---|---|
| SMILES | CCOC(=O)C1CCC(C1=O)C |
| InChIKey | RYLWOWNENNPXNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester (CAS 7424-85-3), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: ethyl 3-methyl-2-oxocyclopentane-1-carboxylate.
Chemical Property Profile of Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester
Property Insights of Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, 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 Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester?
The CAS number of Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester is 7424-85-3.
What is the molecular formula of Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester?
The molecular formula of Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester is C9H14O3.
What is the molecular weight of Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester?
The molecular weight of Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester is 170.09 g/mol.
Where can I buy Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester?
You can request a quote for Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentanecarboxylic acid, 3-methyl-2-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.