Cyclohex-4-ene-1,3-dicarboxylic acid
TL;DR: Cyclohex-4-ene-1,3-dicarboxylic acid (CAS 4717-55-9) 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-4-ene-1,3-dicarboxylic acid
Also Known As: cyclohex-4-ene-1,3-dicarboxylic acid, 4-Cyclohexene-1,3-dicarboxylic acid
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.5 |
| 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 | 231.0 |
Chemical Identifiers
| CAS Number | 4717-55-9 |
|---|---|
| SMILES | C1C=CC(CC1C(=O)O)C(=O)O |
| InChIKey | BZDAUORPMAWHLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohex-4-ene-1,3-dicarboxylic acid (CAS 4717-55-9), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: cyclohex-4-ene-1,3-dicarboxylic acid.
Chemical Property Profile of Cyclohex-4-ene-1,3-dicarboxylic acid
Property Insights of Cyclohex-4-ene-1,3-dicarboxylic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohex-4-ene-1,3-dicarboxylic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohex-4-ene-1,3-dicarboxylic acid. Following Lipinski's Rule of Five, Cyclohex-4-ene-1,3-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 Cyclohex-4-ene-1,3-dicarboxylic acid?
The CAS number of Cyclohex-4-ene-1,3-dicarboxylic acid is 4717-55-9.
What is the molecular formula of Cyclohex-4-ene-1,3-dicarboxylic acid?
The molecular formula of Cyclohex-4-ene-1,3-dicarboxylic acid is C8H10O4.
What is the molecular weight of Cyclohex-4-ene-1,3-dicarboxylic acid?
The molecular weight of Cyclohex-4-ene-1,3-dicarboxylic acid is 170.06 g/mol.
Where can I buy Cyclohex-4-ene-1,3-dicarboxylic acid?
You can request a quote for Cyclohex-4-ene-1,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohex-4-ene-1,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Cyclohex-4-ene-1,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.