Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester
TL;DR: Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester (CAS 68015-70-3) is a chemical compound with molecular formula C21H42O6S and molecular weight 422.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 10-sulfooxyoctadecanoate
Also Known As: Sulfated isopropyl oleate, Oleic acid, isopropyl ester, sulfated, propan-2-yl 10-(sulfooxy)octadecanoate, Isopropyl 9(or 10)-(sulfooxy)stearic acid, propan-2-yl 10-sulfooxyoctadecanoate
| Molecular Formula | C21H42O6S |
|---|---|
| Molecular Weight | 422.27 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 98.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 422.2702 |
| Heavy Atoms | 28 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 68015-70-3 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCCCCC(=O)OC(C)C)OS(=O)(=O)O |
| InChIKey | WTXGRDDEGGBKSK-UHFFFAOYSA-N |
Product Overview
Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester (CAS 68015-70-3), with molecular formula C21H42O6S and molecular weight 422.27 g/mol. IUPAC: propan-2-yl 10-sulfooxyoctadecanoate.
Chemical Property Profile of Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester
Property Insights of Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester
The XLogP value of 7.0 indicates that Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester. Following Lipinski's Rule of Five, Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester has 1 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 Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester?
The CAS number of Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester is 68015-70-3.
What is the molecular formula of Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester?
The molecular formula of Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester is C21H42O6S.
What is the molecular weight of Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester?
The molecular weight of Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester is 422.27 g/mol.
Where can I buy Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester?
You can request a quote for Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester 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)-, 1-(1-methylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 9(or 10)-(sulfooxy)-, 1-(1-methylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.