9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester
TL;DR: 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester (CAS 64131-24-4) is a chemical compound with molecular formula C24H44O4 and molecular weight 396.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl octadeca-9,12-dienoate
Also Known As: Trimethylolpropane monolinoleate, 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester, 2,2-Bis(hydroxymethyl)butyl (9Z,12Z)-octadeca-9,12-dienoate, 2,2-bis-(Hydroxymethyl)butyl (9Z,12Z)-octadeca-9,12-dienoate, 9,12-Octadecadienoic acid (Z,Z)-, 2,2-bis(hydroxymethyl)butyl ester
| Molecular Formula | C24H44O4 |
|---|---|
| Molecular Weight | 396.32 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 396.32397 |
| Heavy Atoms | 28 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 64131-24-4 |
|---|---|
| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)OCC(CC)(CO)CO |
| InChIKey | QYKUGKXUCSXQBX-UHFFFAOYSA-N |
Product Overview
9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester (CAS 64131-24-4), with molecular formula C24H44O4 and molecular weight 396.32 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl octadeca-9,12-dienoate.
Chemical Property Profile of 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester
Property Insights of 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester
The XLogP value of 6.5 indicates that 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester. Following Lipinski's Rule of Five, 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester has 2 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 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester?
The CAS number of 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester is 64131-24-4.
What is the molecular formula of 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester?
The molecular formula of 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester is C24H44O4.
What is the molecular weight of 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester?
The molecular weight of 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester is 396.32 g/mol.
Where can I buy 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester?
You can request a quote for 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl 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)-, 2,2-bis(hydroxymethyl)butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 9,12-Octadecadienoic acid (9Z,12Z)-, 2,2-bis(hydroxymethyl)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.