Butyl hydrogen cyclohexane-1,2-dicarboxylate
TL;DR: Butyl hydrogen cyclohexane-1,2-dicarboxylate (CAS 21583-35-7) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxycarbonylcyclohexane-1-carboxylic acid
Also Known As: Butyl hydrogen cyclohexane-1,2-dicarboxylate, 2-butoxycarbonylcyclohexane-1-carboxylic acid, 2-(butoxycarbonyl)cyclohexanecarboxylic acid, 2-(BUTOXYCARBONYL)CYCLOHEXANE-1-CARBOXYLIC ACID, 1,2-Cyclohexanedicarboxylic acid hydrogen 1-butyl ester
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 21583-35-7 |
|---|---|
| SMILES | CCCCOC(=O)C1CCCCC1C(=O)O |
| InChIKey | VRHUZZLSVQTROS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl hydrogen cyclohexane-1,2-dicarboxylate (CAS 21583-35-7), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: 2-butoxycarbonylcyclohexane-1-carboxylic acid.
Chemical Property Profile of Butyl hydrogen cyclohexane-1,2-dicarboxylate
Property Insights of Butyl hydrogen cyclohexane-1,2-dicarboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl hydrogen cyclohexane-1,2-dicarboxylate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl hydrogen cyclohexane-1,2-dicarboxylate. Following Lipinski's Rule of Five, Butyl hydrogen cyclohexane-1,2-dicarboxylate has 1 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 Butyl hydrogen cyclohexane-1,2-dicarboxylate?
The CAS number of Butyl hydrogen cyclohexane-1,2-dicarboxylate is 21583-35-7.
What is the molecular formula of Butyl hydrogen cyclohexane-1,2-dicarboxylate?
The molecular formula of Butyl hydrogen cyclohexane-1,2-dicarboxylate is C12H20O4.
What is the molecular weight of Butyl hydrogen cyclohexane-1,2-dicarboxylate?
The molecular weight of Butyl hydrogen cyclohexane-1,2-dicarboxylate is 228.14 g/mol.
Where can I buy Butyl hydrogen cyclohexane-1,2-dicarboxylate?
You can request a quote for Butyl hydrogen cyclohexane-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl hydrogen cyclohexane-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Butyl hydrogen cyclohexane-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.