2-Ethoxycarbonylcyclohexane-1-carboxylate
TL;DR: 2-Ethoxycarbonylcyclohexane-1-carboxylate (CAS 96894-62-1) is a chemical compound with molecular formula C10H15O4- and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxycarbonylcyclohexane-1-carboxylate
Also Known As: EINECS 267-190-7, Monoethyl cyclohexane-1,2-dicarboxylate, 2-ethoxycarbonylcyclohexane-1-carboxylate, 1,2-Cyclohexanedicarboxylic acid, monoethyl ester, (1S,2R)-
| Molecular Formula | C10H15O4- |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 0.1058 |
| Topological Polar Surface Area | 66.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.09703 |
| Heavy Atoms | 14 |
| Complexity | 224.16188 |
Chemical Identifiers
| CAS Number | 96894-62-1 |
|---|---|
| SMILES | CCOC(=O)C1CCCCC1C(=O)[O-] |
Product Overview
2-Ethoxycarbonylcyclohexane-1-carboxylate (CAS 96894-62-1), with molecular formula C10H15O4- and molecular weight 199.10 g/mol. IUPAC: 2-ethoxycarbonylcyclohexane-1-carboxylate.
Chemical Property Profile of 2-Ethoxycarbonylcyclohexane-1-carboxylate
Property Insights of 2-Ethoxycarbonylcyclohexane-1-carboxylate
The XLogP value of 0.1058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxycarbonylcyclohexane-1-carboxylate. The TPSA of 66.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxycarbonylcyclohexane-1-carboxylate. Following Lipinski's Rule of Five, 2-Ethoxycarbonylcyclohexane-1-carboxylate has 0 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 2-Ethoxycarbonylcyclohexane-1-carboxylate?
The CAS number of 2-Ethoxycarbonylcyclohexane-1-carboxylate is 96894-62-1.
What is the molecular formula of 2-Ethoxycarbonylcyclohexane-1-carboxylate?
The molecular formula of 2-Ethoxycarbonylcyclohexane-1-carboxylate is C10H15O4-.
What is the molecular weight of 2-Ethoxycarbonylcyclohexane-1-carboxylate?
The molecular weight of 2-Ethoxycarbonylcyclohexane-1-carboxylate is 199.10 g/mol.
Where can I buy 2-Ethoxycarbonylcyclohexane-1-carboxylate?
You can request a quote for 2-Ethoxycarbonylcyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxycarbonylcyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxycarbonylcyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.