Trimethylolpropane valerate diheptanoate
TL;DR: Trimethylolpropane valerate diheptanoate (CAS 71426-94-3) is a chemical compound with molecular formula C25H46O6 and molecular weight 442.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(heptanoyloxymethyl)-2-(pentanoyloxymethyl)butyl] heptanoate
Also Known As: Trimethylolpropane valerate diheptanoate, Trimethylolpropane pentanoate, diheptanoate, bis 2-ethyl-2-[[oxy]methyl]-1,3-propanediylester, Heptanoic acid, 2-ethyl-2-(((1-oxopentyl)oxy)methyl)-1,3-propanediyl ester, Bis 2-ethyl-2-[[ oxy]methyl]-1,3-propanediylester
| Molecular Formula | C25H46O6 |
|---|---|
| Molecular Weight | 442.33 g/mol |
| LogP | 6.1434 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 442.32944 |
| Heavy Atoms | 31 |
| Complexity | 460.4039 |
Chemical Identifiers
| CAS Number | 71426-94-3 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(CC)(COC(=O)CCCC)COC(=O)CCCCCC |
Product Overview
Trimethylolpropane valerate diheptanoate (CAS 71426-94-3), with molecular formula C25H46O6 and molecular weight 442.33 g/mol. IUPAC: [2-(heptanoyloxymethyl)-2-(pentanoyloxymethyl)butyl] heptanoate.
Chemical Property Profile of Trimethylolpropane valerate diheptanoate
Property Insights of Trimethylolpropane valerate diheptanoate
The XLogP value of 6.1434 indicates that Trimethylolpropane valerate diheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Trimethylolpropane valerate diheptanoate. Following Lipinski's Rule of Five, Trimethylolpropane valerate diheptanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trimethylolpropane valerate diheptanoate?
The CAS number of Trimethylolpropane valerate diheptanoate is 71426-94-3.
What is the molecular formula of Trimethylolpropane valerate diheptanoate?
The molecular formula of Trimethylolpropane valerate diheptanoate is C25H46O6.
What is the molecular weight of Trimethylolpropane valerate diheptanoate?
The molecular weight of Trimethylolpropane valerate diheptanoate is 442.33 g/mol.
Where can I buy Trimethylolpropane valerate diheptanoate?
You can request a quote for Trimethylolpropane valerate diheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trimethylolpropane valerate diheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Trimethylolpropane valerate diheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.