1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1)
TL;DR: 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1) (CAS 72018-28-1) is a chemical compound with molecular formula C26H54CaO8S2 and molecular weight 598.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(tridecyl sulfate)
Also Known As: Calcium tridecyl sulfate, calcium,tridecyl sulfate, calciumtridecan-1-ylsulphate, Calcium tridecan-1-yl sulphate, calcium bis(tridecyl sulfate)
| Molecular Formula | C26H54CaO8S2 |
|---|---|
| Molecular Weight | 598.29 g/mol |
| LogP | 7.1676 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Exact Mass | 598.2886 |
| Heavy Atoms | 37 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 72018-28-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCCOS(=O)(=O)[O-].[Ca+2] |
| InChIKey | BPHNWTCKJLHIIA-UHFFFAOYSA-L |
Product Overview
1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1) (CAS 72018-28-1), with molecular formula C26H54CaO8S2 and molecular weight 598.29 g/mol. IUPAC: calcium bis(tridecyl sulfate).
Chemical Property Profile of 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1)
Property Insights of 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1)
The XLogP value of 7.1676 indicates that 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1)?
The CAS number of 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1) is 72018-28-1.
What is the molecular formula of 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1)?
The molecular formula of 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1) is C26H54CaO8S2.
What is the molecular weight of 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1)?
The molecular weight of 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1) is 598.29 g/mol.
Where can I buy 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1)?
You can request a quote for 1-Tridecanol, 1-(hydrogen sulfate), 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 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1)?
Yes, KEHONG BIO provides custom synthesis services for 1-Tridecanol, 1-(hydrogen sulfate), calcium salt (2:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.