Hexadecanoic acid, 2-sulfo-, 1-methyl ester
TL;DR: Hexadecanoic acid, 2-sulfo-, 1-methyl ester (CAS 58849-75-5) is a chemical compound with molecular formula C17H34O5S and molecular weight 350.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-1-oxohexadecane-2-sulfonic acid
Also Known As: 1-Methyl 2-sulfopalmitate, methyl a-sulfopalmitate, Methyl palmitate alpha-sulfonic acid, 1-methoxy-1-oxohexadecane-2-sulfonic acid, A-Sulfopalmitinsaeure-methylester
| Molecular Formula | C17H34O5S |
|---|---|
| Molecular Weight | 350.21 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 89.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 350.2127 |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 58849-75-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O |
| InChIKey | CBFFVBXZKOWOMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecanoic acid, 2-sulfo-, 1-methyl ester (CAS 58849-75-5), with molecular formula C17H34O5S and molecular weight 350.21 g/mol. IUPAC: 1-methoxy-1-oxohexadecane-2-sulfonic acid.
Chemical Property Profile of Hexadecanoic acid, 2-sulfo-, 1-methyl ester
Property Insights of Hexadecanoic acid, 2-sulfo-, 1-methyl ester
The XLogP value of 6.3 indicates that Hexadecanoic acid, 2-sulfo-, 1-methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexadecanoic acid, 2-sulfo-, 1-methyl ester. Following Lipinski's Rule of Five, Hexadecanoic acid, 2-sulfo-, 1-methyl ester 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 Hexadecanoic acid, 2-sulfo-, 1-methyl ester?
The CAS number of Hexadecanoic acid, 2-sulfo-, 1-methyl ester is 58849-75-5.
What is the molecular formula of Hexadecanoic acid, 2-sulfo-, 1-methyl ester?
The molecular formula of Hexadecanoic acid, 2-sulfo-, 1-methyl ester is C17H34O5S.
What is the molecular weight of Hexadecanoic acid, 2-sulfo-, 1-methyl ester?
The molecular weight of Hexadecanoic acid, 2-sulfo-, 1-methyl ester is 350.21 g/mol.
Where can I buy Hexadecanoic acid, 2-sulfo-, 1-methyl ester?
You can request a quote for Hexadecanoic acid, 2-sulfo-, 1-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexadecanoic acid, 2-sulfo-, 1-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, 2-sulfo-, 1-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.