Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester
TL;DR: Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester (CAS 64131-22-2) is a chemical compound with molecular formula C22H44O4 and molecular weight 372.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl hexadecanoate
Also Known As: Trimethylolpropane monopalmitate, 2,2-Bis(hydroxymethyl)butyl palmitate, 2,2-bis(hydroxymethyl)butyl hexadecanoate, Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester, Hexadecanoic acid 2,2-bis(hydroxymethyl)butyl ester
| Molecular Formula | C22H44O4 |
|---|---|
| Molecular Weight | 372.32 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 372.32397 |
| Heavy Atoms | 26 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 64131-22-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO |
| InChIKey | ROXXKZWLQOWAJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester (CAS 64131-22-2), with molecular formula C22H44O4 and molecular weight 372.32 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl hexadecanoate.
Chemical Property Profile of Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester
Property Insights of Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester
The XLogP value of 7.1 indicates that Hexadecanoic acid, 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 Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester. Following Lipinski's Rule of Five, Hexadecanoic acid, 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 Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester?
The CAS number of Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester is 64131-22-2.
What is the molecular formula of Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester?
The molecular formula of Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester is C22H44O4.
What is the molecular weight of Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester?
The molecular weight of Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester is 372.32 g/mol.
Where can I buy Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester?
You can request a quote for Hexadecanoic acid, 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 Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.