2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate
TL;DR: 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate (CAS 84788-10-3) is a chemical compound with molecular formula C29H54O6 and molecular weight 498.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(heptanoyloxymethyl)butyl nonanoate
Also Known As: EINECS 284-149-9, 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate, 2,2-bis(heptanoyloxymethyl)butyl nonanoate, 2,2-bis[[oxy]methyl]butylnonan-1-oate, 2,2-bis[[ oxy]methyl]butylnonan-1-oate
| Molecular Formula | C29H54O6 |
|---|---|
| Molecular Weight | 498.39 g/mol |
| LogP | 7.7038 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 498.39203 |
| Heavy Atoms | 35 |
| Complexity | 517.2901 |
Chemical Identifiers
| CAS Number | 84788-10-3 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCC)COC(=O)CCCCCC |
Product Overview
2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate (CAS 84788-10-3), with molecular formula C29H54O6 and molecular weight 498.39 g/mol. IUPAC: 2,2-bis(heptanoyloxymethyl)butyl nonanoate.
Chemical Property Profile of 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate
Property Insights of 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate
The XLogP value of 7.7038 indicates that 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate 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 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate. Following Lipinski's Rule of Five, 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate 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 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate?
The CAS number of 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate is 84788-10-3.
What is the molecular formula of 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate?
The molecular formula of 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate is C29H54O6.
What is the molecular weight of 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate?
The molecular weight of 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate is 498.39 g/mol.
Where can I buy 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate?
You can request a quote for 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate 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(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(((1-oxoheptyl)oxy)methyl)butyl nonan-1-oate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.