Pentaerythritol, dibenzoate
TL;DR: Pentaerythritol, dibenzoate (CAS 76597-90-5) is a chemical compound with molecular formula C19H20O6 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate
Also Known As: Pentaerythrite dibenzoate, Pentaerythritol, dibenzoate, Dwubenzoesan pentaery trytu, Pentaerythritol dibenzoate, Dwubenzoesan pentaery trytu [Polish]
| Molecular Formula | C19H20O6 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 1.6714 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 344.12598 |
| Heavy Atoms | 25 |
| Complexity | 622.0752 |
Chemical Identifiers
| CAS Number | 76597-90-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(CO)(CO)COC(=O)C2=CC=CC=C2 |
Product Overview
Pentaerythritol, dibenzoate (CAS 76597-90-5), with molecular formula C19H20O6 and molecular weight 344.13 g/mol. IUPAC: [2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate.
Chemical Property Profile of Pentaerythritol, dibenzoate
Property Insights of Pentaerythritol, dibenzoate
The XLogP value of 1.6714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentaerythritol, dibenzoate. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol, dibenzoate. Following Lipinski's Rule of Five, Pentaerythritol, dibenzoate has 2 hydrogen bond donor(s) and 6 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 Pentaerythritol, dibenzoate?
The CAS number of Pentaerythritol, dibenzoate is 76597-90-5.
What is the molecular formula of Pentaerythritol, dibenzoate?
The molecular formula of Pentaerythritol, dibenzoate is C19H20O6.
What is the molecular weight of Pentaerythritol, dibenzoate?
The molecular weight of Pentaerythritol, dibenzoate is 344.13 g/mol.
Where can I buy Pentaerythritol, dibenzoate?
You can request a quote for Pentaerythritol, dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol, dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol, dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.