1,6-Di-O-benzoylhexitol
TL;DR: 1,6-Di-O-benzoylhexitol (CAS 7226-27-9) is a chemical compound with molecular formula C20H22O8 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl) benzoate
Also Known As: 1,6-Dibenzoyl-D-mannitol, 1,6-Di-O-benzoylhexitol, Glucitol,6-dibenzoate, D-, 1,6-Di-O-benzoylhexitol #, Glucitol, 1,6-dibenzoate, D-
| Molecular Formula | C20H22O8 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 390.13147 |
| Heavy Atoms | 28 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 7226-27-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC(C(C(C(COC(=O)C2=CC=CC=C2)O)O)O)O |
| InChIKey | LDFVROHMRYBVGB-UHFFFAOYSA-N |
Product Overview
1,6-Di-O-benzoylhexitol (CAS 7226-27-9), with molecular formula C20H22O8 and molecular weight 390.13 g/mol. IUPAC: (6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl) benzoate.
Chemical Property Profile of 1,6-Di-O-benzoylhexitol
Property Insights of 1,6-Di-O-benzoylhexitol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Di-O-benzoylhexitol. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Di-O-benzoylhexitol. Following Lipinski's Rule of Five, 1,6-Di-O-benzoylhexitol has 4 hydrogen bond donor(s) and 8 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 1,6-Di-O-benzoylhexitol?
The CAS number of 1,6-Di-O-benzoylhexitol is 7226-27-9.
What is the molecular formula of 1,6-Di-O-benzoylhexitol?
The molecular formula of 1,6-Di-O-benzoylhexitol is C20H22O8.
What is the molecular weight of 1,6-Di-O-benzoylhexitol?
The molecular weight of 1,6-Di-O-benzoylhexitol is 390.13 g/mol.
Where can I buy 1,6-Di-O-benzoylhexitol?
You can request a quote for 1,6-Di-O-benzoylhexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Di-O-benzoylhexitol?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Di-O-benzoylhexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.