Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2)
TL;DR: Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2) (CAS 68069-76-1) is a chemical compound with molecular formula C18H34Na2O6S and molecular weight 424.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;9-sulfonatooxyoctadecanoate
Also Known As: sodium9- octadecanoate, Sodium 9-(sulfooxy)stearate, disodium 9-(sulfonatooxy)octadecanoate, Disodium 9-(sulfooxy)stearate, Disodium 9(or 10)-(sulfooxy)stearate
| Molecular Formula | C18H34Na2O6S |
|---|---|
| Molecular Weight | 424.19 g/mol |
| LogP | -2.54 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 424.18713 |
| Heavy Atoms | 27 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 68069-76-1 |
|---|---|
| SMILES | CCCCCCCCCC(CCCCCCCC(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | VGTVRFVVWNDJDH-UHFFFAOYSA-L |
Product Overview
Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2) (CAS 68069-76-1), with molecular formula C18H34Na2O6S and molecular weight 424.19 g/mol. IUPAC: disodium;9-sulfonatooxyoctadecanoate.
Chemical Property Profile of Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2)
Property Insights of Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2)
The XLogP value of -2.54 indicates that Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2). Following Lipinski's Rule of Five, Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2) has 0 hydrogen bond donor(s) and 6 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 Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2)?
The CAS number of Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2) is 68069-76-1.
What is the molecular formula of Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2)?
The molecular formula of Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2) is C18H34Na2O6S.
What is the molecular weight of Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2)?
The molecular weight of Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2) is 424.19 g/mol.
Where can I buy Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2)?
You can request a quote for Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.