环己烷-1,2-二甲酸单乙酯
TL;DR: 环己烷-1,2-二甲酸单乙酯 (CAS 67805-22-5) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环己烷-1,2-二甲酸单乙酯
2-ethoxycarbonylcyclohexane-1-carboxylic acid
Also Known As: Monoethyl cyclohexane-1,2-dicarboxylate, 2-ethoxycarbonylcyclohexane-1-carboxylic acid, 2-(ethoxycarbonyl)cyclohexanecarboxylic acid, ethylhydrogencyclohexane-1,2-dicarboxylate, 2-(ethoxycarbonyl)cyclohexanecarboxylicacid
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 67805-22-5 |
|---|---|
| SMILES | CCOC(=O)C1CCCCC1C(=O)O |
| InChIKey | XGRJGTBLDJAHTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环己烷-1,2-二甲酸单乙酯 (CAS 67805-22-5), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: 2-ethoxycarbonylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 环己烷-1,2-二甲酸单乙酯
Property Insights of 环己烷-1,2-二甲酸单乙酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 环己烷-1,2-二甲酸单乙酯. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 环己烷-1,2-二甲酸单乙酯. Following Lipinski's Rule of Five, 环己烷-1,2-二甲酸单乙酯 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 环己烷-1,2-二甲酸单乙酯?
The CAS number of 环己烷-1,2-二甲酸单乙酯 is 67805-22-5.
What is the molecular formula of 环己烷-1,2-二甲酸单乙酯?
The molecular formula of 环己烷-1,2-二甲酸单乙酯 is C10H16O4.
What is the molecular weight of 环己烷-1,2-二甲酸单乙酯?
The molecular weight of 环己烷-1,2-二甲酸单乙酯 is 200.10 g/mol.
Where can I buy 环己烷-1,2-二甲酸单乙酯?
You can request a quote for 环己烷-1,2-二甲酸单乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环己烷-1,2-二甲酸单乙酯?
Yes, KEHONG BIO provides custom synthesis services for 环己烷-1,2-二甲酸单乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.