2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester
TL;DR: 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester (CAS 59151-19-8) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
Also Known As: CALYXOL, autumn carboxylate, PBCMLYXOL, Ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate, Ethyl 2-methyl-6-pentyl-4-oxocyclohex-2-enecarboxylate
| Molecular Formula | C15H24O3 |
|---|---|
| Molecular Weight | 252.17 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 252.17255 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 59151-19-8 |
|---|---|
| SMILES | CCCCCC1CC(=O)C=C(C1C(=O)OCC)C |
| InChIKey | ZJLHQWGPVWXKME-UHFFFAOYSA-N |
Product Overview
2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester (CAS 59151-19-8), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: ethyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate.
Chemical Property Profile of 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester
Property Insights of 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester
The XLogP value of 3.3 indicates that 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, 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 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester?
The CAS number of 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester is 59151-19-8.
What is the molecular formula of 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester?
The molecular formula of 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester is C15H24O3.
What is the molecular weight of 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester?
The molecular weight of 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester is 252.17 g/mol.
Where can I buy 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester?
You can request a quote for 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclohexene-1-carboxylic acid, 2-methyl-4-oxo-6-pentyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.