3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester
TL;DR: 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester (CAS 68797-72-8) is a chemical compound with molecular formula C14H22O3 and molecular weight 238.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-methyl-2-oxo-3-pentylcyclopent-3-ene-1-carboxylate
Also Known As: ethyl 4-methyl-2-oxo-3-pentylcyclopent-3-ene-1-carboxylate, 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester, Ethyl 4-methyl-2-oxo-3-pentylcyclopent-3-enecarboxylate, ethyl4-methyl-2-oxo-3-pentylcyclopent-3-enecarboxylate, 4-Methyl-2-oxo-3-pentyl-3-cyclopentene-1-carboxylic acid ethyl ester
| Molecular Formula | C14H22O3 |
|---|---|
| Molecular Weight | 238.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 238.15689 |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 68797-72-8 |
|---|---|
| SMILES | CCCCCC1=C(CC(C1=O)C(=O)OCC)C |
| InChIKey | MBBJMOHAHVDOES-UHFFFAOYSA-N |
Product Overview
3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester (CAS 68797-72-8), with molecular formula C14H22O3 and molecular weight 238.16 g/mol. IUPAC: ethyl 4-methyl-2-oxo-3-pentylcyclopent-3-ene-1-carboxylate.
Chemical Property Profile of 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester
Property Insights of 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester
The XLogP value of 3.4 indicates that 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-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, 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-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 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester?
The CAS number of 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester is 68797-72-8.
What is the molecular formula of 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester?
The molecular formula of 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester is C14H22O3.
What is the molecular weight of 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester?
The molecular weight of 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester is 238.16 g/mol.
Where can I buy 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester?
You can request a quote for 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-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 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.