Mono-o-benzylidinepentaerythritol
TL;DR: Mono-o-benzylidinepentaerythritol (CAS 2425-41-4) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol
Also Known As: Monobenzalpentaerythritol, 5,5-Bis(hydroxymethyl)-2-phenyl-1,3-dioxane, (2-phenyl-1,3-dioxane-5,5-diyl)dimethanol, Mono-benzalpentaerythritol, [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol
| Molecular Formula | C12H16O4 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.10486 |
| Heavy Atoms | 16 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 2425-41-4 |
|---|---|
| SMILES | C1C(COC(O1)C2=CC=CC=C2)(CO)CO |
| InChIKey | DHWCGYXHBIWIPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mono-o-benzylidinepentaerythritol (CAS 2425-41-4), with molecular formula C12H16O4 and molecular weight 224.10 g/mol. IUPAC: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol.
Chemical Property Profile of Mono-o-benzylidinepentaerythritol
Property Insights of Mono-o-benzylidinepentaerythritol
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mono-o-benzylidinepentaerythritol. With a topological polar surface area (TPSA) of 58.9 Ų, Mono-o-benzylidinepentaerythritol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mono-o-benzylidinepentaerythritol has 2 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 Mono-o-benzylidinepentaerythritol?
The CAS number of Mono-o-benzylidinepentaerythritol is 2425-41-4.
What is the molecular formula of Mono-o-benzylidinepentaerythritol?
The molecular formula of Mono-o-benzylidinepentaerythritol is C12H16O4.
What is the molecular weight of Mono-o-benzylidinepentaerythritol?
The molecular weight of Mono-o-benzylidinepentaerythritol is 224.10 g/mol.
Where can I buy Mono-o-benzylidinepentaerythritol?
You can request a quote for Mono-o-benzylidinepentaerythritol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono-o-benzylidinepentaerythritol?
Yes, KEHONG BIO provides custom synthesis services for Mono-o-benzylidinepentaerythritol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.