4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid
TL;DR: 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid (CAS 91061-82-4) is a chemical compound with molecular formula C10H12O4 and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic acid
Also Known As: 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid, 4,5-dimethyl-1,4-cyclohexadiene-1,2-dicarboxylic acid, 1,4-Cyclohexadiene-1,2-dicarboxylic acid, 4,5-dimethyl-, J2.849.686I, 1R-0056
| Molecular Formula | C10H12O4 |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 1.5824 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.07356 |
| Heavy Atoms | 14 |
| Complexity | 326.3183 |
Chemical Identifiers
| CAS Number | 91061-82-4 |
|---|---|
| SMILES | CC1=C(CC(=C(C1)C(=O)O)C(=O)O)C |
Product Overview
4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid (CAS 91061-82-4), with molecular formula C10H12O4 and molecular weight 196.07 g/mol. IUPAC: 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic acid.
Chemical Property Profile of 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid
Property Insights of 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid
The XLogP value of 1.5824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid. Following Lipinski's Rule of Five, 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid has 2 hydrogen bond donor(s) and 2 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-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid?
The CAS number of 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid is 91061-82-4.
What is the molecular formula of 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid?
The molecular formula of 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid is C10H12O4.
What is the molecular weight of 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid?
The molecular weight of 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid is 196.07 g/mol.
Where can I buy 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid?
You can request a quote for 4,5-dimethylcyclohexa-1,4-diene-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-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dimethylcyclohexa-1,4-diene-1,2-dicarboxylic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.