3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester
TL;DR: 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester (CAS 190505-24-9) is a chemical compound with molecular formula C15H22O5 and molecular weight 282.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-acetyl-4-methylcyclohex-3-ene-1,1-dicarboxylate
Also Known As: 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester, diethyl 3-acetyl-4-methylcyclohex-3-ene-1,1-dicarboxylate, 3-Acetyl-4-methyl-3-cyclohexene-1,1-dicarboxylic acid diethyl ester, 1,1-DIETHYL 3-ACETYL-4-METHYLCYCLOHEX-3-ENE-1,1-DICARBOXYLATE
| Molecular Formula | C15H22O5 |
|---|---|
| Molecular Weight | 282.15 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 282.14673 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 190505-24-9 |
|---|---|
| SMILES | CCOC(=O)C1(CCC(=C(C1)C(=O)C)C)C(=O)OCC |
| InChIKey | LSYFLETYJGBUHP-UHFFFAOYSA-N |
Product Overview
3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester (CAS 190505-24-9), with molecular formula C15H22O5 and molecular weight 282.15 g/mol. IUPAC: diethyl 3-acetyl-4-methylcyclohex-3-ene-1,1-dicarboxylate.
Chemical Property Profile of 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester
Property Insights of 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester. Following Lipinski's Rule of Five, 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester has 0 hydrogen bond donor(s) and 5 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-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester?
The CAS number of 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester is 190505-24-9.
What is the molecular formula of 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester?
The molecular formula of 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester is C15H22O5.
What is the molecular weight of 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester?
The molecular weight of 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester is 282.15 g/mol.
Where can I buy 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester?
You can request a quote for 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1,1-dicarboxylic acid, 3-acetyl-4-methyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.