Butyl 18-sulfooxyoctadec-9-enoate
TL;DR: Butyl 18-sulfooxyoctadec-9-enoate (CAS 38621-44-2) is a chemical compound with molecular formula C22H42O6S and molecular weight 434.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 18-sulfooxyoctadec-9-enoate
Also Known As: Butyl oleate sulfate, Butyl 18-sulfooxyoctadec-9-enoate, Butyl 18-(sulfooxy)octadec-9-enoate, 9-Octadecenoic acid, (sulfooxy)-, 1-butyl ester
| Molecular Formula | C22H42O6S |
|---|---|
| Molecular Weight | 434.27 g/mol |
| LogP | 6.1667 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 434.2702 |
| Heavy Atoms | 29 |
| Complexity | 501.4319 |
Chemical Identifiers
| CAS Number | 38621-44-2 |
|---|---|
| SMILES | CCCCOC(=O)CCCCCCCC=CCCCCCCCCOS(=O)(=O)O |
Product Overview
Butyl 18-sulfooxyoctadec-9-enoate (CAS 38621-44-2), with molecular formula C22H42O6S and molecular weight 434.27 g/mol. IUPAC: butyl 18-sulfooxyoctadec-9-enoate.
Chemical Property Profile of Butyl 18-sulfooxyoctadec-9-enoate
Property Insights of Butyl 18-sulfooxyoctadec-9-enoate
The XLogP value of 6.1667 indicates that Butyl 18-sulfooxyoctadec-9-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 18-sulfooxyoctadec-9-enoate. Following Lipinski's Rule of Five, Butyl 18-sulfooxyoctadec-9-enoate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 18-sulfooxyoctadec-9-enoate?
The CAS number of Butyl 18-sulfooxyoctadec-9-enoate is 38621-44-2.
What is the molecular formula of Butyl 18-sulfooxyoctadec-9-enoate?
The molecular formula of Butyl 18-sulfooxyoctadec-9-enoate is C22H42O6S.
What is the molecular weight of Butyl 18-sulfooxyoctadec-9-enoate?
The molecular weight of Butyl 18-sulfooxyoctadec-9-enoate is 434.27 g/mol.
Where can I buy Butyl 18-sulfooxyoctadec-9-enoate?
You can request a quote for Butyl 18-sulfooxyoctadec-9-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 18-sulfooxyoctadec-9-enoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 18-sulfooxyoctadec-9-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.