2,2-Bis(hydroxymethyl)butyl laurate
TL;DR: 2,2-Bis(hydroxymethyl)butyl laurate (CAS 64131-20-0) is a chemical compound with molecular formula C18H36O4 and molecular weight 316.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl dodecanoate
Also Known As: 2,2-Bis(hydroxymethyl)butyl laurate, Trimethylolpropanemonolaurate, EINECS 264-688-6, 2,2-bis(hydroxymethyl)butyl dodecanoate, Dodecanoic acid 2,2-bis(hydroxymethyl)butyl ester
| Molecular Formula | C18H36O4 |
|---|---|
| Molecular Weight | 316.26 g/mol |
| LogP | 3.8315 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 316.26135 |
| Heavy Atoms | 22 |
| Complexity | 253.54811 |
Chemical Identifiers
| CAS Number | 64131-20-0 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)OCC(CC)(CO)CO |
Product Overview
2,2-Bis(hydroxymethyl)butyl laurate (CAS 64131-20-0), with molecular formula C18H36O4 and molecular weight 316.26 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl dodecanoate.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)butyl laurate
Property Insights of 2,2-Bis(hydroxymethyl)butyl laurate
The XLogP value of 3.8315 indicates that 2,2-Bis(hydroxymethyl)butyl laurate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)butyl laurate. Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)butyl laurate has 2 hydrogen bond donor(s) and 4 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 2,2-Bis(hydroxymethyl)butyl laurate?
The CAS number of 2,2-Bis(hydroxymethyl)butyl laurate is 64131-20-0.
What is the molecular formula of 2,2-Bis(hydroxymethyl)butyl laurate?
The molecular formula of 2,2-Bis(hydroxymethyl)butyl laurate is C18H36O4.
What is the molecular weight of 2,2-Bis(hydroxymethyl)butyl laurate?
The molecular weight of 2,2-Bis(hydroxymethyl)butyl laurate is 316.26 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)butyl laurate?
You can request a quote for 2,2-Bis(hydroxymethyl)butyl laurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(hydroxymethyl)butyl laurate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)butyl laurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.