Pentaerythrityl Tetrabehenate
TL;DR: Pentaerythrityl Tetrabehenate (CAS 66701-54-0) is a chemical compound with molecular formula C93H180O8 and molecular weight 1425.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] docosanoate
Also Known As: Pentaerythritol tetrabehenate, Pentaerythrityl tetrabehenate, DUB PTB, Pentaerythrite tetrabehenate, LIPONATE PB-4
| Molecular Formula | C93H180O8 |
|---|---|
| Molecular Weight | 1425.37 g/mol |
| LogP | 42.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 92 |
| Exact Mass | 1425.3678 |
| Heavy Atoms | 101 |
| Complexity | 1410.0 |
Chemical Identifiers
| CAS Number | 66701-54-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC |
| InChIKey | SMLXTTLNOGQHHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythrityl Tetrabehenate (CAS 66701-54-0), with molecular formula C93H180O8 and molecular weight 1425.37 g/mol. IUPAC: [3-docosanoyloxy-2,2-bis(docosanoyloxymethyl)propyl] docosanoate.
Chemical Property Profile of Pentaerythrityl Tetrabehenate
Property Insights of Pentaerythrityl Tetrabehenate
The XLogP value of 42.2 indicates that Pentaerythrityl Tetrabehenate 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 Tetrabehenate. Following Lipinski's Rule of Five, Pentaerythrityl Tetrabehenate 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 Tetrabehenate?
The CAS number of Pentaerythrityl Tetrabehenate is 66701-54-0.
What is the molecular formula of Pentaerythrityl Tetrabehenate?
The molecular formula of Pentaerythrityl Tetrabehenate is C93H180O8.
What is the molecular weight of Pentaerythrityl Tetrabehenate?
The molecular weight of Pentaerythrityl Tetrabehenate is 1425.37 g/mol.
Where can I buy Pentaerythrityl Tetrabehenate?
You can request a quote for Pentaerythrityl Tetrabehenate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythrityl Tetrabehenate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythrityl Tetrabehenate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.