1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester
TL;DR: 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester (CAS 58683-55-9) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-ethenylcyclohexene-1,4-dicarboxylate
Also Known As: BCB02_000244, dimethyl 4-ethenylcyclohexene-1,4-dicarboxylate, BCB03_000016, dimethyl 4-vinyl-1-cyclohexene-1,4-dicarboxylate, 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 1.6151 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 342.92792 |
Chemical Identifiers
| CAS Number | 58683-55-9 |
|---|---|
| SMILES | COC(=O)C1=CCC(CC1)(C=C)C(=O)OC |
Product Overview
1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester (CAS 58683-55-9), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: dimethyl 4-ethenylcyclohexene-1,4-dicarboxylate.
Chemical Property Profile of 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester
Property Insights of 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester
The XLogP value of 1.6151 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl 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 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester?
The CAS number of 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester is 58683-55-9.
What is the molecular formula of 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester?
The molecular formula of 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester is C12H16O4.
What is the molecular weight of 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester?
The molecular weight of 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester is 224.10 g/mol.
Where can I buy 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester?
You can request a quote for 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.