Trimethylolpropane 2-ethylhexanoate laurate
TL;DR: Trimethylolpropane 2-ethylhexanoate laurate (CAS 71077-02-6) is a chemical compound with molecular formula C23H48O7 and molecular weight 436.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecanoic acid;2-ethylhexanoic acid;propane-1,2,3-triol
Also Known As: Trimethylolpropane 2-ethylhexanoate laurate, Trimethylolpropane, triesters with 2-ethylhexanoic acid and dodecanoic acid, dodecanoic acid; 2-ethylhexanoic acid; propane-1,2,3-triol, Dodecanoic acid, mixed esters with 2-ethylhexanoic acid and trimethylolpropane
| Molecular Formula | C23H48O7 |
|---|---|
| Molecular Weight | 436.34 g/mol |
| LogP | 4.61 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 436.34 |
| Heavy Atoms | 30 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 71077-02-6 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)O.CCCCC(CC)C(=O)O.C(C(CO)O)O |
| InChIKey | YRDUUJLNRKMQSN-UHFFFAOYSA-N |
Product Overview
Trimethylolpropane 2-ethylhexanoate laurate (CAS 71077-02-6), with molecular formula C23H48O7 and molecular weight 436.34 g/mol. IUPAC: dodecanoic acid;2-ethylhexanoic acid;propane-1,2,3-triol.
Chemical Property Profile of Trimethylolpropane 2-ethylhexanoate laurate
Property Insights of Trimethylolpropane 2-ethylhexanoate laurate
The XLogP value of 4.61 indicates that Trimethylolpropane 2-ethylhexanoate laurate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethylolpropane 2-ethylhexanoate laurate. Following Lipinski's Rule of Five, Trimethylolpropane 2-ethylhexanoate laurate has 5 hydrogen bond donor(s) and 7 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 Trimethylolpropane 2-ethylhexanoate laurate?
The CAS number of Trimethylolpropane 2-ethylhexanoate laurate is 71077-02-6.
What is the molecular formula of Trimethylolpropane 2-ethylhexanoate laurate?
The molecular formula of Trimethylolpropane 2-ethylhexanoate laurate is C23H48O7.
What is the molecular weight of Trimethylolpropane 2-ethylhexanoate laurate?
The molecular weight of Trimethylolpropane 2-ethylhexanoate laurate is 436.34 g/mol.
Where can I buy Trimethylolpropane 2-ethylhexanoate laurate?
You can request a quote for Trimethylolpropane 2-ethylhexanoate laurate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane 2-ethylhexanoate laurate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane 2-ethylhexanoate laurate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.