Pentaerythrityl tetraheptanoate
TL;DR: Pentaerythrityl tetraheptanoate (CAS 25811-35-2) is a chemical compound with molecular formula C33H60O8 and molecular weight 584.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-heptanoyloxy-2,2-bis(heptanoyloxymethyl)propyl] heptanoate
Also Known As: Pentaerythrityl tetraheptanoate, pentaerythritol tetraheptanoate, Pentaerythritol tetraenanthate, PENTAERYTHRITOL, TETRAHEPTANOATE, PENTAERYTHRITOL TETRA-N-HEPTANOATE
| Molecular Formula | C33H60O8 |
|---|---|
| Molecular Weight | 584.43 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 32 |
| Exact Mass | 584.42883 |
| Heavy Atoms | 41 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 25811-35-2 |
|---|---|
| SMILES | CCCCCCC(=O)OCC(COC(=O)CCCCCC)(COC(=O)CCCCCC)COC(=O)CCCCCC |
| InChIKey | NCGQPNAQUYGWMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythrityl tetraheptanoate (CAS 25811-35-2), with molecular formula C33H60O8 and molecular weight 584.43 g/mol. IUPAC: [3-heptanoyloxy-2,2-bis(heptanoyloxymethyl)propyl] heptanoate.
Chemical Property Profile of Pentaerythrityl tetraheptanoate
Property Insights of Pentaerythrityl tetraheptanoate
The XLogP value of 9.7 indicates that Pentaerythrityl tetraheptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythrityl tetraheptanoate. Following Lipinski's Rule of Five, Pentaerythrityl tetraheptanoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythrityl tetraheptanoate?
The CAS number of Pentaerythrityl tetraheptanoate is 25811-35-2.
What is the molecular formula of Pentaerythrityl tetraheptanoate?
The molecular formula of Pentaerythrityl tetraheptanoate is C33H60O8.
What is the molecular weight of Pentaerythrityl tetraheptanoate?
The molecular weight of Pentaerythrityl tetraheptanoate is 584.43 g/mol.
Where can I buy Pentaerythrityl tetraheptanoate?
You can request a quote for Pentaerythrityl tetraheptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythrityl tetraheptanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythrityl tetraheptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.