Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)
TL;DR: Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1) (CAS 4062-78-6) is a chemical compound with molecular formula C19H37NaO5S and molecular weight 400.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 1-methoxy-1-oxooctadecane-2-sulfonate
Also Known As: Sodium methyl 2-sulphooctadecanoate, EINECS 223-770-1, sodiummethyl2-sulphooctadecanoate, Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt, sodium;1-methoxy-1-oxooctadecane-2-sulfonate
| Molecular Formula | C19H37NaO5S |
|---|---|
| Molecular Weight | 400.23 g/mol |
| LogP | 1.9486 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 18 |
| Exact Mass | 400.22595 |
| Heavy Atoms | 26 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 4062-78-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)[O-].[Na+] |
| InChIKey | SYHQWIKCJFYHDC-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1) (CAS 4062-78-6), with molecular formula C19H37NaO5S and molecular weight 400.23 g/mol. IUPAC: sodium 1-methoxy-1-oxooctadecane-2-sulfonate.
Chemical Property Profile of Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)
Property Insights of Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)
The XLogP value of 1.9486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1). The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1). Following Lipinski's Rule of Five, Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1) has 0 hydrogen bond donor(s) and 5 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, 2-sulfo-, 1-methyl ester, sodium salt (1:1)?
The CAS number of Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1) is 4062-78-6.
What is the molecular formula of Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)?
The molecular formula of Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1) is C19H37NaO5S.
What is the molecular weight of Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)?
The molecular weight of Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1) is 400.23 g/mol.
Where can I buy Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)?
You can request a quote for Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 2-sulfo-, 1-methyl ester, sodium salt (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.