Cyclohexenedicarboxylic acid
TL;DR: Cyclohexenedicarboxylic acid (CAS 80889-54-9) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohex-2-ene-1,1-dicarboxylic acid
Also Known As: Cyclohexenedicarboxylic acid, cyclohexenedicarboxylic, cyclohex-2-ene-1,1-dicarboxylic acid, RefChem:335671
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 80889-54-9 |
|---|---|
| SMILES | C1CC=CC(C1)(C(=O)O)C(=O)O |
| InChIKey | OVHKECRARPYFQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexenedicarboxylic acid (CAS 80889-54-9), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: cyclohex-2-ene-1,1-dicarboxylic acid.
Chemical Property Profile of Cyclohexenedicarboxylic acid
Property Insights of Cyclohexenedicarboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexenedicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexenedicarboxylic acid. Following Lipinski's Rule of Five, Cyclohexenedicarboxylic 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 Cyclohexenedicarboxylic acid?
The CAS number of Cyclohexenedicarboxylic acid is 80889-54-9.
What is the molecular formula of Cyclohexenedicarboxylic acid?
The molecular formula of Cyclohexenedicarboxylic acid is C8H10O4.
What is the molecular weight of Cyclohexenedicarboxylic acid?
The molecular weight of Cyclohexenedicarboxylic acid is 170.06 g/mol.
Where can I buy Cyclohexenedicarboxylic acid?
You can request a quote for Cyclohexenedicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexenedicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexenedicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.