Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1)
TL;DR: Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1) (CAS 68259-16-5) is a chemical compound with molecular formula C20H34CaO6 and molecular weight 410.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-(1-hydroxycyclohexyl)butanoate)
Also Known As: cyclobutyrol calcium, C10H18O3.1/2Ca, Calcium alpha-(1-hydroxycyclohexyl)butyrate, C10-H18-O3.1/2Ca, CYCLOBUTYROL CALCIUM [WHO-DD]
| Molecular Formula | C20H34CaO6 |
|---|---|
| Molecular Weight | 410.20 g/mol |
| LogP | 0.53 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.19812 |
| Heavy Atoms | 27 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 68259-16-5 |
|---|---|
| SMILES | CCC(C(=O)[O-])C1(CCCCC1)O.CCC(C(=O)[O-])C1(CCCCC1)O.[Ca+2] |
| InChIKey | OAMYYZVUKPEHBW-UHFFFAOYSA-L |
Product Overview
Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1) (CAS 68259-16-5), with molecular formula C20H34CaO6 and molecular weight 410.20 g/mol. IUPAC: calcium bis(2-(1-hydroxycyclohexyl)butanoate).
Chemical Property Profile of Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1)
Property Insights of Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1)
The XLogP value of 0.53 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1). The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1). Following Lipinski's Rule of Five, Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1) has 2 hydrogen bond donor(s) and 6 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 Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1)?
The CAS number of Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1) is 68259-16-5.
What is the molecular formula of Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1)?
The molecular formula of Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1) is C20H34CaO6.
What is the molecular weight of Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1)?
The molecular weight of Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1) is 410.20 g/mol.
Where can I buy Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1)?
You can request a quote for Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexaneacetic acid, alpha-ethyl-1-hydroxy-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.