Cyclopropanecarboxylic acid, 2-ethylhexyl ester
TL;DR: Cyclopropanecarboxylic acid, 2-ethylhexyl ester (CAS 103604-31-5) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl cyclopropanecarboxylate
Also Known As: 2-Ethylhexyl cyclopropanecarboxylate, Cyclopropanecarboxylic acid, 2-ethylhexyl ester, 2-Ethylhexyl cyclopropanecarboxylate #, RefChem:336266
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 103604-31-5 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1CC1 |
| InChIKey | SLRKITAXTDNPSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopropanecarboxylic acid, 2-ethylhexyl ester (CAS 103604-31-5), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 2-ethylhexyl cyclopropanecarboxylate.
Chemical Property Profile of Cyclopropanecarboxylic acid, 2-ethylhexyl ester
Property Insights of Cyclopropanecarboxylic acid, 2-ethylhexyl ester
The XLogP value of 3.7 indicates that Cyclopropanecarboxylic acid, 2-ethylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cyclopropanecarboxylic acid, 2-ethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopropanecarboxylic acid, 2-ethylhexyl ester has 0 hydrogen bond donor(s) and 2 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 Cyclopropanecarboxylic acid, 2-ethylhexyl ester?
The CAS number of Cyclopropanecarboxylic acid, 2-ethylhexyl ester is 103604-31-5.
What is the molecular formula of Cyclopropanecarboxylic acid, 2-ethylhexyl ester?
The molecular formula of Cyclopropanecarboxylic acid, 2-ethylhexyl ester is C12H22O2.
What is the molecular weight of Cyclopropanecarboxylic acid, 2-ethylhexyl ester?
The molecular weight of Cyclopropanecarboxylic acid, 2-ethylhexyl ester is 198.16 g/mol.
Where can I buy Cyclopropanecarboxylic acid, 2-ethylhexyl ester?
You can request a quote for Cyclopropanecarboxylic acid, 2-ethylhexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopropanecarboxylic acid, 2-ethylhexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclopropanecarboxylic acid, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.