2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate
TL;DR: 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate (CAS 78-15-9) is a chemical compound with molecular formula C21H38O6 and molecular weight 386.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(pentanoyloxymethyl)butyl pentanoate
Also Known As: Trimethylolpropane trivalerate, 2,2-bis(pentanoyloxymethyl)butyl pentanoate, 2,2-bis(pentanoyloxymethyl)butylpentanoate, 2,2-BIS[(PENTANOYLOXY)METHYL]BUTYL PENTANOATE, 2-ethyl-2-[[ oxy]methyl]propane-1,3-diyldivalerate
| Molecular Formula | C21H38O6 |
|---|---|
| Molecular Weight | 386.27 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 386.26685 |
| Heavy Atoms | 27 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 78-15-9 |
|---|---|
| SMILES | CCCCC(=O)OCC(CC)(COC(=O)CCCC)COC(=O)CCCC |
| InChIKey | YHDXJOHRSLAGNZ-UHFFFAOYSA-N |
Product Overview
2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate (CAS 78-15-9), with molecular formula C21H38O6 and molecular weight 386.27 g/mol. IUPAC: 2,2-bis(pentanoyloxymethyl)butyl pentanoate.
Chemical Property Profile of 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate
Property Insights of 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate
The XLogP value of 5.0 indicates that 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate 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 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate. Following Lipinski's Rule of Five, 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate has 0 hydrogen bond donor(s) and 6 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-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate?
The CAS number of 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate is 78-15-9.
What is the molecular formula of 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate?
The molecular formula of 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate is C21H38O6.
What is the molecular weight of 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate?
The molecular weight of 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate is 386.27 g/mol.
Where can I buy 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate?
You can request a quote for 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-2-(((1-oxopentyl)oxy)methyl)propane-1,3-diyl divalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.