(1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid
TL;DR: (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid (CAS 114478-93-2) 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.
4-ethoxycarbonylcyclohexane-1-carboxylic acid
Also Known As: (1R,4R)-4-(ETHOXYCARBONYL)CYCLOHEXANECARBOXYLIC ACID, Edoxaban Impurity 139, 4-ethoxycarbonylcyclohexane-1-carboxylic acid, 4-(ethoxycarbonyl)cyclohexanecarboxylic acid, 7613AA
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.2 |
| 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 | 216.0 |
Chemical Identifiers
| CAS Number | 114478-93-2 |
|---|---|
| SMILES | CCOC(=O)C1CCC(CC1)C(=O)O |
| InChIKey | FAFFYFMLKGDSEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid (CAS 114478-93-2), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: 4-ethoxycarbonylcyclohexane-1-carboxylic acid.
Chemical Property Profile of (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid
Property Insights of (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid 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 (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid?
The CAS number of (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid is 114478-93-2.
What is the molecular formula of (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid?
The molecular formula of (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid is C10H16O4.
What is the molecular weight of (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid?
The molecular weight of (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid is 200.10 g/mol.
Where can I buy (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid?
You can request a quote for (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (1R,4R)-4-(Ethoxycarbonyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.