Benzylidene iditol
TL;DR: Benzylidene iditol (CAS 45007-61-2) is a chemical compound with molecular formula C20H22O6 and molecular weight 358.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(hydroxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol
Also Known As: Benzylidene iditol, 2,4:3,5-Di-O-benzylidene-L-iditol, 2-O,4-O:3-O,5-O-Dibenzylidene-D-glucitol, Glucitol,4:3,5-di-O-benzylidene-, D-, Glucitol, 2,4:3,5-di-O-benzylidene-, D-
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.14163 |
| Heavy Atoms | 26 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 45007-61-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2OC(C3C(O2)C(OC(O3)C4=CC=CC=C4)CO)CO |
| InChIKey | WZACICAIHONNQP-UHFFFAOYSA-N |
Product Overview
Benzylidene iditol (CAS 45007-61-2), with molecular formula C20H22O6 and molecular weight 358.14 g/mol. IUPAC: [4-(hydroxymethyl)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-8-yl]methanol.
Chemical Property Profile of Benzylidene iditol
Property Insights of Benzylidene iditol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylidene iditol. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzylidene iditol. Following Lipinski's Rule of Five, Benzylidene iditol 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 Benzylidene iditol?
The CAS number of Benzylidene iditol is 45007-61-2.
What is the molecular formula of Benzylidene iditol?
The molecular formula of Benzylidene iditol is C20H22O6.
What is the molecular weight of Benzylidene iditol?
The molecular weight of Benzylidene iditol is 358.14 g/mol.
Where can I buy Benzylidene iditol?
You can request a quote for Benzylidene iditol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylidene iditol?
Yes, KEHONG BIO provides custom synthesis services for Benzylidene iditol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.