Calcium cyclohexanebutyrate
TL;DR: Calcium cyclohexanebutyrate (CAS 110861-66-0) is a chemical compound with molecular formula C20H34CaO4 and molecular weight 378.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(4-cyclohexylbutanoate)
Also Known As: Calcium cyclohexanebutyrate, Calcium 4-cyclohexylbutanoate, CALCIUM CYCLOHEXANEBUTYRATESTANDARD, [(4-cyclohexylbutanoyl)oxy]calcio 4-cyclohexylbutanoate
| Molecular Formula | C20H34CaO4 |
|---|---|
| Molecular Weight | 378.21 g/mol |
| LogP | 2.593 |
| Topological Polar Surface Area | 80.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.2083 |
| Heavy Atoms | 25 |
| Complexity | 313.60532 |
Chemical Identifiers
| CAS Number | 110861-66-0 |
|---|---|
| SMILES | C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Ca+2] |
Product Overview
Calcium cyclohexanebutyrate (CAS 110861-66-0), with molecular formula C20H34CaO4 and molecular weight 378.21 g/mol. IUPAC: calcium bis(4-cyclohexylbutanoate).
Chemical Property Profile of Calcium cyclohexanebutyrate
Property Insights of Calcium cyclohexanebutyrate
The XLogP value of 2.593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium cyclohexanebutyrate. The TPSA of 80.26 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium cyclohexanebutyrate. Following Lipinski's Rule of Five, Calcium cyclohexanebutyrate 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 Calcium cyclohexanebutyrate?
The CAS number of Calcium cyclohexanebutyrate is 110861-66-0.
What is the molecular formula of Calcium cyclohexanebutyrate?
The molecular formula of Calcium cyclohexanebutyrate is C20H34CaO4.
What is the molecular weight of Calcium cyclohexanebutyrate?
The molecular weight of Calcium cyclohexanebutyrate is 378.21 g/mol.
Where can I buy Calcium cyclohexanebutyrate?
You can request a quote for Calcium cyclohexanebutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium cyclohexanebutyrate?
Yes, KEHONG BIO provides custom synthesis services for Calcium cyclohexanebutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.