4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid
TL;DR: 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid (CAS 22228-48-4) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethylcyclohex-4-ene-1,2-dicarboxylic acid
Also Known As: 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylic acid, ChemDiv1_023942, 4,5-dimethyl-4-cyclohexene-1,2-dicarboxylic acid, 4-Cyclohexene-1,2-dicarboxylicacid, 4,5-dimethyl-, dimethyl-4-cyclohexene-1,2-dicarboxylic acid
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 22228-48-4 |
|---|---|
| SMILES | CC1=C(CC(C(C1)C(=O)O)C(=O)O)C |
| InChIKey | JCMAJASDGCVYOK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid (CAS 22228-48-4), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylic acid.
Chemical Property Profile of 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid
Property Insights of 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid. Following Lipinski's Rule of Five, 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid has 2 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 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid?
The CAS number of 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid is 22228-48-4.
What is the molecular formula of 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid?
The molecular formula of 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid is C10H14O4.
What is the molecular weight of 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid?
The molecular weight of 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid is 198.09 g/mol.
Where can I buy 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid?
You can request a quote for 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dimethylcyclohex-4-ene-1,2-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.