Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester
TL;DR: Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester (CAS 13347-96-1) is a chemical compound with molecular formula C14H22O4 and molecular weight 254.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1-(3-oxopropyl)cyclooctane-1-carboxylate
Also Known As: ethyl 2-oxo-1-(3-oxopropyl)cyclooctane-1-carboxylate, Ethyl 2-oxo-1-(3-oxopropyl)cyclooctanecarboxylate, Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester, Ethyl 2-oxo-1-(3-oxopropyl)cyclooctanecarboxylate #, Ethyl 1-(2-formylethyl)-2-oxocylooctane-1-carboxylate
| Molecular Formula | C14H22O4 |
|---|---|
| Molecular Weight | 254.15 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 254.15181 |
| Heavy Atoms | 18 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 13347-96-1 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCCCC1=O)CCC=O |
| InChIKey | IXGMNQHNUDNPJT-UHFFFAOYSA-N |
Product Overview
Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester (CAS 13347-96-1), with molecular formula C14H22O4 and molecular weight 254.15 g/mol. IUPAC: ethyl 2-oxo-1-(3-oxopropyl)cyclooctane-1-carboxylate.
Chemical Property Profile of Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester
Property Insights of Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester. Following Lipinski's Rule of Five, Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester?
The CAS number of Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester is 13347-96-1.
What is the molecular formula of Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester?
The molecular formula of Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester is C14H22O4.
What is the molecular weight of Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester?
The molecular weight of Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester is 254.15 g/mol.
Where can I buy Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester?
You can request a quote for Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclooctanecarboxylic acid, 2-oxo-1-(3-oxopropyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.