Pentaerythritol tetrahexanoate
TL;DR: Pentaerythritol tetrahexanoate (CAS 7445-47-8) is a chemical compound with molecular formula C29H52O8 and molecular weight 528.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hexanoyloxy-2,2-bis(hexanoyloxymethyl)propyl] hexanoate
Also Known As: PENTAERYTHRITOL TETRAHEXANOATE, pentaerythritol tetracaproate, Pentaerythrityl tetracaproate, [3-hexanoyloxy-2,2-bis(hexanoyloxymethyl)propyl] Hexanoate, 2,2-Bis(hydroxymethyl)-1,3-propanediol tetrahexanoate
| Molecular Formula | C29H52O8 |
|---|---|
| Molecular Weight | 528.37 g/mol |
| LogP | 6.4668 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 24 |
| Exact Mass | 528.3662 |
| Heavy Atoms | 37 |
| Complexity | 521.8864 |
Chemical Identifiers
| CAS Number | 7445-47-8 |
|---|---|
| SMILES | CCCCCC(=O)OCC(COC(=O)CCCCC)(COC(=O)CCCCC)COC(=O)CCCCC |
Product Overview
Pentaerythritol tetrahexanoate (CAS 7445-47-8), with molecular formula C29H52O8 and molecular weight 528.37 g/mol. IUPAC: [3-hexanoyloxy-2,2-bis(hexanoyloxymethyl)propyl] hexanoate.
Chemical Property Profile of Pentaerythritol tetrahexanoate
Property Insights of Pentaerythritol tetrahexanoate
The XLogP value of 6.4668 indicates that Pentaerythritol tetrahexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol tetrahexanoate. Following Lipinski's Rule of Five, Pentaerythritol tetrahexanoate 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 Pentaerythritol tetrahexanoate?
The CAS number of Pentaerythritol tetrahexanoate is 7445-47-8.
What is the molecular formula of Pentaerythritol tetrahexanoate?
The molecular formula of Pentaerythritol tetrahexanoate is C29H52O8.
What is the molecular weight of Pentaerythritol tetrahexanoate?
The molecular weight of Pentaerythritol tetrahexanoate is 528.37 g/mol.
Where can I buy Pentaerythritol tetrahexanoate?
You can request a quote for Pentaerythritol tetrahexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol tetrahexanoate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol tetrahexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.