cyclohexanebutanoic acid, barium salt
TL;DR: cyclohexanebutanoic acid, barium salt (CAS 62669-65-2) is a chemical compound with molecular formula C20H34BaO4 and molecular weight 476.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);bis(4-cyclohexylbutanoate)
Also Known As: Barium cyclohexanebutyrate, bariumcyclohexanebutyrate, Cyclohexanebutanoic acid, barium salt, Barium cyclohexanebutyrate (1:2), barium(2+);4-cyclohexylbutanoate
| Molecular Formula | C20H34BaO4 |
|---|---|
| Molecular Weight | 476.15 g/mol |
| LogP | 2.59 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.15097 |
| Heavy Atoms | 25 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 62669-65-2 |
|---|---|
| SMILES | C1CCC(CC1)CCCC(=O)[O-].C1CCC(CC1)CCCC(=O)[O-].[Ba+2] |
| InChIKey | NFAVTTVOXXCARJ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cyclohexanebutanoic acid, barium salt (CAS 62669-65-2), with molecular formula C20H34BaO4 and molecular weight 476.15 g/mol. IUPAC: barium(2+);bis(4-cyclohexylbutanoate).
Chemical Property Profile of cyclohexanebutanoic acid, barium salt
Property Insights of cyclohexanebutanoic acid, barium salt
The XLogP value of 2.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cyclohexanebutanoic acid, barium salt. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for cyclohexanebutanoic acid, barium salt. Following Lipinski's Rule of Five, cyclohexanebutanoic acid, barium salt 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 cyclohexanebutanoic acid, barium salt?
The CAS number of cyclohexanebutanoic acid, barium salt is 62669-65-2.
What is the molecular formula of cyclohexanebutanoic acid, barium salt?
The molecular formula of cyclohexanebutanoic acid, barium salt is C20H34BaO4.
What is the molecular weight of cyclohexanebutanoic acid, barium salt?
The molecular weight of cyclohexanebutanoic acid, barium salt is 476.15 g/mol.
Where can I buy cyclohexanebutanoic acid, barium salt?
You can request a quote for cyclohexanebutanoic acid, barium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cyclohexanebutanoic acid, barium salt?
Yes, KEHONG BIO provides custom synthesis services for cyclohexanebutanoic acid, barium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.