Allyl pentaerythritol
TL;DR: Allyl pentaerythritol (CAS 3784-12-1) is a chemical compound with molecular formula C8H16O4 and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol
Also Known As: Allyl pentaerythritol, none, Pentaerythritol allyl ether, EINECS 293-883-9, pentaerythritol monoallyl ether
| Molecular Formula | C8H16O4 |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | -0.8477 |
| Topological Polar Surface Area | 69.92 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.10486 |
| Heavy Atoms | 12 |
| Complexity | 111.96161 |
Chemical Identifiers
| CAS Number | 3784-12-1 |
|---|---|
| SMILES | C=CCOCC(CO)(CO)CO |
Product Overview
Allyl pentaerythritol (CAS 3784-12-1), with molecular formula C8H16O4 and molecular weight 176.10 g/mol. IUPAC: 2-(hydroxymethyl)-2-(prop-2-enoxymethyl)propane-1,3-diol.
Chemical Property Profile of Allyl pentaerythritol
Property Insights of Allyl pentaerythritol
The XLogP value of -0.8477 indicates that Allyl pentaerythritol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Allyl pentaerythritol. Following Lipinski's Rule of Five, Allyl pentaerythritol has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Allyl pentaerythritol?
The CAS number of Allyl pentaerythritol is 3784-12-1.
What is the molecular formula of Allyl pentaerythritol?
The molecular formula of Allyl pentaerythritol is C8H16O4.
What is the molecular weight of Allyl pentaerythritol?
The molecular weight of Allyl pentaerythritol is 176.10 g/mol.
Where can I buy Allyl pentaerythritol?
You can request a quote for Allyl pentaerythritol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl pentaerythritol?
Yes, KEHONG BIO provides custom synthesis services for Allyl pentaerythritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.