Barium neodecanoate
TL;DR: Barium neodecanoate (CAS 55172-98-0) is a chemical compound with molecular formula C20H38BaO4 and molecular weight 480.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);bis(3,3,5,5-tetramethylhexanoate)
Also Known As: Barium neodecanoate, Neodecanoic acid, barium salt, barium(2+);3,3,5,5-tetramethylhexanoate, Neodecanoic acid, barium salt (2:1), barium bis(3,3,5,5-tetramethylhexanoate)
| Molecular Formula | C20H38BaO4 |
|---|---|
| Molecular Weight | 480.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.18225 |
| Heavy Atoms | 25 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 55172-98-0 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)CC(=O)[O-].CC(C)(C)CC(C)(C)CC(=O)[O-].[Ba+2] |
| InChIKey | ROSHGJWNZDDJFF-UHFFFAOYSA-L |
Product Overview
Barium neodecanoate (CAS 55172-98-0), with molecular formula C20H38BaO4 and molecular weight 480.18 g/mol. IUPAC: barium(2+);bis(3,3,5,5-tetramethylhexanoate).
Chemical Property Profile of Barium neodecanoate
Property Insights of Barium neodecanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Barium neodecanoate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Barium neodecanoate. Following Lipinski's Rule of Five, Barium neodecanoate 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 Barium neodecanoate?
The CAS number of Barium neodecanoate is 55172-98-0.
What is the molecular formula of Barium neodecanoate?
The molecular formula of Barium neodecanoate is C20H38BaO4.
What is the molecular weight of Barium neodecanoate?
The molecular weight of Barium neodecanoate is 480.18 g/mol.
Where can I buy Barium neodecanoate?
You can request a quote for Barium neodecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium neodecanoate?
Yes, KEHONG BIO provides custom synthesis services for Barium neodecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.