9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester
TL;DR: 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester (CAS 52147-29-2) is a chemical compound with molecular formula C20H36O2S and molecular weight 340.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylethyl (9Z,12Z)-octadeca-9,12-dienoate
Also Known As: 2-Mercaptoethyl linoleate, EINECS 257-690-3, 2-mercaptoethyl -octadeca-9,12-dienoate, 2-Mercaptoethyl (9Z,12Z)-octadeca-9,12-dienoate, 2-sulfanylethyl (9Z,12Z)-octadeca-9,12-dienoate
| Molecular Formula | C20H36O2S |
|---|---|
| Molecular Weight | 340.24 g/mol |
| LogP | 6.2729 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 340.2436 |
| Heavy Atoms | 23 |
| Complexity | 310.76352 |
Chemical Identifiers
| CAS Number | 52147-29-2 |
|---|---|
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCS |
Product Overview
9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester (CAS 52147-29-2), with molecular formula C20H36O2S and molecular weight 340.24 g/mol. IUPAC: 2-sulfanylethyl (9Z,12Z)-octadeca-9,12-dienoate.
Chemical Property Profile of 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester
Property Insights of 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester
The XLogP value of 6.2729 indicates that 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester?
The CAS number of 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester is 52147-29-2.
What is the molecular formula of 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester?
The molecular formula of 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester is C20H36O2S.
What is the molecular weight of 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester?
The molecular weight of 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester is 340.24 g/mol.
Where can I buy 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester?
You can request a quote for 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.