Propanoic acid, 3-(octadecylthio)-, barium salt (2:1)
TL;DR: Propanoic acid, 3-(octadecylthio)-, barium salt (2:1) (CAS 40816-84-0) is a chemical compound with molecular formula C42H82BaO4S2 and molecular weight 852.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
barium(2+);bis(3-octadecylsulfanylpropanoate)
Also Known As: Barium 3-stearylthiopropionate, Barium 3-octadecylthiopropionate, bariumbis[3- propionate], C21H42O2S.1/2Ba, Barium 3-octadecylsulfanylpropanoate
| Molecular Formula | C42H82BaO4S2 |
|---|---|
| Molecular Weight | 852.47 g/mol |
| LogP | 11.8614 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 38 |
| Exact Mass | 852.4707 |
| Heavy Atoms | 49 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 40816-84-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCCCCCCCSCCC(=O)[O-].[Ba+2] |
| InChIKey | IBXOVGVKIOWOEQ-UHFFFAOYSA-L |
Product Overview
Propanoic acid, 3-(octadecylthio)-, barium salt (2:1) (CAS 40816-84-0), with molecular formula C42H82BaO4S2 and molecular weight 852.47 g/mol. IUPAC: barium(2+);bis(3-octadecylsulfanylpropanoate).
Chemical Property Profile of Propanoic acid, 3-(octadecylthio)-, barium salt (2:1)
Property Insights of Propanoic acid, 3-(octadecylthio)-, barium salt (2:1)
The XLogP value of 11.8614 indicates that Propanoic acid, 3-(octadecylthio)-, barium salt (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 3-(octadecylthio)-, barium salt (2:1). Following Lipinski's Rule of Five, Propanoic acid, 3-(octadecylthio)-, barium salt (2:1) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 3-(octadecylthio)-, barium salt (2:1)?
The CAS number of Propanoic acid, 3-(octadecylthio)-, barium salt (2:1) is 40816-84-0.
What is the molecular formula of Propanoic acid, 3-(octadecylthio)-, barium salt (2:1)?
The molecular formula of Propanoic acid, 3-(octadecylthio)-, barium salt (2:1) is C42H82BaO4S2.
What is the molecular weight of Propanoic acid, 3-(octadecylthio)-, barium salt (2:1)?
The molecular weight of Propanoic acid, 3-(octadecylthio)-, barium salt (2:1) is 852.47 g/mol.
Where can I buy Propanoic acid, 3-(octadecylthio)-, barium salt (2:1)?
You can request a quote for Propanoic acid, 3-(octadecylthio)-, barium 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 Propanoic acid, 3-(octadecylthio)-, barium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-(octadecylthio)-, barium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.