Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1)
TL;DR: Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1) (CAS 36452-66-1) is a chemical compound with molecular formula C30H58CaO4S2 and molecular weight 586.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3-dodecylsulfanylpropanoate)
Also Known As: Calcium 3-laurylthiopropionate, isopropyl butylcarbamate, Calcium 3-dodecylthiopropanoate, calcium 3-dodecylsulfanylpropanoate, C15H30O2S.1/2Ca
| Molecular Formula | C30H58CaO4S2 |
|---|---|
| Molecular Weight | 586.34 g/mol |
| LogP | 7.18 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 586.3403 |
| Heavy Atoms | 37 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 36452-66-1 |
|---|---|
| SMILES | CCCCCCCCCCCCSCCC(=O)[O-].CCCCCCCCCCCCSCCC(=O)[O-].[Ca+2] |
| InChIKey | WPBKLXIJCPTIAL-UHFFFAOYSA-L |
Product Overview
Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1) (CAS 36452-66-1), with molecular formula C30H58CaO4S2 and molecular weight 586.34 g/mol. IUPAC: calcium bis(3-dodecylsulfanylpropanoate).
Chemical Property Profile of Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1)
Property Insights of Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1)
The XLogP value of 7.18 indicates that Propanoic acid, 3-(dodecylthio)-, calcium 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-(dodecylthio)-, calcium salt (2:1). Following Lipinski's Rule of Five, Propanoic acid, 3-(dodecylthio)-, calcium 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-(dodecylthio)-, calcium salt (2:1)?
The CAS number of Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1) is 36452-66-1.
What is the molecular formula of Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1)?
The molecular formula of Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1) is C30H58CaO4S2.
What is the molecular weight of Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1)?
The molecular weight of Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1) is 586.34 g/mol.
Where can I buy Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1)?
You can request a quote for Propanoic acid, 3-(dodecylthio)-, 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 Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-(dodecylthio)-, calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.