Pentaerythrityl tetracaprate
TL;DR: Pentaerythrityl tetracaprate (CAS 13784-61-7) is a chemical compound with molecular formula C45H84O8 and molecular weight 752.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-decanoyloxy-2,2-bis(decanoyloxymethyl)propyl] decanoate
Also Known As: pentaerythrityl tetracaprate, Pentaerythritol tetracaprate, Pentaerythritol tetradecanoate, Decanoic acid, neopentanetetrayl ester, Pentaerythritol, tetrakis(decanoate)
| Molecular Formula | C45H84O8 |
|---|---|
| Molecular Weight | 752.62 g/mol |
| LogP | 16.2 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 44 |
| Exact Mass | 752.61664 |
| Heavy Atoms | 53 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 13784-61-7 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC |
| InChIKey | MXNODNKXIIQMMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythrityl tetracaprate (CAS 13784-61-7), with molecular formula C45H84O8 and molecular weight 752.62 g/mol. IUPAC: [3-decanoyloxy-2,2-bis(decanoyloxymethyl)propyl] decanoate.
Chemical Property Profile of Pentaerythrityl tetracaprate
Property Insights of Pentaerythrityl tetracaprate
The XLogP value of 16.2 indicates that Pentaerythrityl tetracaprate 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 tetracaprate. Following Lipinski's Rule of Five, Pentaerythrityl tetracaprate 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 tetracaprate?
The CAS number of Pentaerythrityl tetracaprate is 13784-61-7.
What is the molecular formula of Pentaerythrityl tetracaprate?
The molecular formula of Pentaerythrityl tetracaprate is C45H84O8.
What is the molecular weight of Pentaerythrityl tetracaprate?
The molecular weight of Pentaerythrityl tetracaprate is 752.62 g/mol.
Where can I buy Pentaerythrityl tetracaprate?
You can request a quote for Pentaerythrityl tetracaprate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythrityl tetracaprate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythrityl tetracaprate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.