Pentaerythrityl Tetraisostearate
TL;DR: Pentaerythrityl Tetraisostearate (CAS 62125-22-8) is a chemical compound with molecular formula C77H148O8 and molecular weight 1201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(16-methylheptadecanoyloxy)-2,2-bis(16-methylheptadecanoyloxymethyl)propyl] 16-methylheptadecanoate
Also Known As: Pentaerythritol tetraisostearate, pentaerythrityl tetraisostearate, Pentaerythityl tetraisostearate, CRODAMOL PTIS, PELEMOL PTIS
| Molecular Formula | C77H148O8 |
|---|---|
| Molecular Weight | 1201.12 g/mol |
| LogP | 32.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 72 |
| Exact Mass | 1201.1174 |
| Heavy Atoms | 85 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 62125-22-8 |
|---|---|
| SMILES | CC(C)CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C |
| InChIKey | LPGFSDGXTDNTCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythrityl Tetraisostearate (CAS 62125-22-8), with molecular formula C77H148O8 and molecular weight 1201.12 g/mol. IUPAC: [3-(16-methylheptadecanoyloxy)-2,2-bis(16-methylheptadecanoyloxymethyl)propyl] 16-methylheptadecanoate.
Chemical Property Profile of Pentaerythrityl Tetraisostearate
Property Insights of Pentaerythrityl Tetraisostearate
The XLogP value of 32.4 indicates that Pentaerythrityl Tetraisostearate 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 Tetraisostearate. Following Lipinski's Rule of Five, Pentaerythrityl Tetraisostearate 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 Tetraisostearate?
The CAS number of Pentaerythrityl Tetraisostearate is 62125-22-8.
What is the molecular formula of Pentaerythrityl Tetraisostearate?
The molecular formula of Pentaerythrityl Tetraisostearate is C77H148O8.
What is the molecular weight of Pentaerythrityl Tetraisostearate?
The molecular weight of Pentaerythrityl Tetraisostearate is 1201.12 g/mol.
Where can I buy Pentaerythrityl Tetraisostearate?
You can request a quote for Pentaerythrityl Tetraisostearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythrityl Tetraisostearate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythrityl Tetraisostearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.