1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane
TL;DR: 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane (CAS 97431-24-8) is a chemical compound with molecular formula C33H68O4 and molecular weight 528.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-heptoxy-2,2-bis(heptoxymethyl)propoxy]heptane
Also Known As: pentaerythritol tetraheptyl ether, Fatty acids, C5-9, tetraesters with pentaerythritol, 1-[3-heptoxy-2,2-bis(heptoxymethyl)propoxy]heptane, EC 267-022-2, 1-{3-(heptyloxy)-2,2-bis[(heptyloxy)methyl]propoxy}heptane
| Molecular Formula | C33H68O4 |
|---|---|
| Molecular Weight | 528.51 g/mol |
| LogP | 11.3 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 32 |
| Exact Mass | 528.5118 |
| Heavy Atoms | 37 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 97431-24-8 |
|---|---|
| SMILES | CCCCCCCOCC(COCCCCCCC)(COCCCCCCC)COCCCCCCC |
| InChIKey | PIZFEKJNYKNABG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane (CAS 97431-24-8), with molecular formula C33H68O4 and molecular weight 528.51 g/mol. IUPAC: 1-[3-heptoxy-2,2-bis(heptoxymethyl)propoxy]heptane.
Chemical Property Profile of 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane
Property Insights of 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane
The XLogP value of 11.3 indicates that 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane?
The CAS number of 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane is 97431-24-8.
What is the molecular formula of 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane?
The molecular formula of 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane is C33H68O4.
What is the molecular weight of 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane?
The molecular weight of 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane is 528.51 g/mol.
Where can I buy 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane?
You can request a quote for 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-((2,2-Bis((heptyloxy)methyl)-1,3-propanediyl)bis(oxy))bis-heptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.