1-Methyl 2-sulphooleate
TL;DR: 1-Methyl 2-sulphooleate (CAS 64131-32-4) is a chemical compound with molecular formula C19H36O5S and molecular weight 376.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-1-methoxy-1-oxooctadec-9-ene-2-sulfonic acid
Also Known As: 1-Methyl 2-sulphooleate, EINECS 264-695-4, (9Z)-1-methoxy-1-oxooctadec-9-ene-2-sulfonic acid, (Z)-2-Sulfo-9-octadecenoic acid 1-methyl ester, (Z)-1-methoxy-1-oxooctadec-9-ene-2-sulfonic acid
| Molecular Formula | C19H36O5S |
|---|---|
| Molecular Weight | 376.23 g/mol |
| LogP | 5.0632 |
| Topological Polar Surface Area | 80.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 376.22833 |
| Heavy Atoms | 25 |
| Complexity | 456.4349 |
Chemical Identifiers
| CAS Number | 64131-32-4 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCC(C(=O)OC)S(=O)(=O)O |
Product Overview
1-Methyl 2-sulphooleate (CAS 64131-32-4), with molecular formula C19H36O5S and molecular weight 376.23 g/mol. IUPAC: (Z)-1-methoxy-1-oxooctadec-9-ene-2-sulfonic acid.
Chemical Property Profile of 1-Methyl 2-sulphooleate
Property Insights of 1-Methyl 2-sulphooleate
The XLogP value of 5.0632 indicates that 1-Methyl 2-sulphooleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl 2-sulphooleate. Following Lipinski's Rule of Five, 1-Methyl 2-sulphooleate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Methyl 2-sulphooleate?
The CAS number of 1-Methyl 2-sulphooleate is 64131-32-4.
What is the molecular formula of 1-Methyl 2-sulphooleate?
The molecular formula of 1-Methyl 2-sulphooleate is C19H36O5S.
What is the molecular weight of 1-Methyl 2-sulphooleate?
The molecular weight of 1-Methyl 2-sulphooleate is 376.23 g/mol.
Where can I buy 1-Methyl 2-sulphooleate?
You can request a quote for 1-Methyl 2-sulphooleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl 2-sulphooleate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl 2-sulphooleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.