Cyclohexanemalonic acid
TL;DR: Cyclohexanemalonic acid (CAS 4354-67-0) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyclohexylpropanedioic acid
Also Known As: cyclohexylmalonic acid, Cyclohexylmalonsaure, Cyclohexanemalonic acid, 2-Cyclohexylmalonic acid, cyclohexyl-malonic acid
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 4354-67-0 |
|---|---|
| SMILES | C1CCC(CC1)C(C(=O)O)C(=O)O |
| InChIKey | WYPYCIKNBNGGII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexanemalonic acid (CAS 4354-67-0), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: 2-cyclohexylpropanedioic acid.
Chemical Property Profile of Cyclohexanemalonic acid
Property Insights of Cyclohexanemalonic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexanemalonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexanemalonic acid. Following Lipinski's Rule of Five, Cyclohexanemalonic 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 Cyclohexanemalonic acid?
The CAS number of Cyclohexanemalonic acid is 4354-67-0.
What is the molecular formula of Cyclohexanemalonic acid?
The molecular formula of Cyclohexanemalonic acid is C9H14O4.
What is the molecular weight of Cyclohexanemalonic acid?
The molecular weight of Cyclohexanemalonic acid is 186.09 g/mol.
Where can I buy Cyclohexanemalonic acid?
You can request a quote for Cyclohexanemalonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanemalonic acid?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanemalonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.