1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol
TL;DR: 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol (CAS 7464-39-3) is a chemical compound with molecular formula C27H26O8 and molecular weight 478.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(2-benzoyloxy-1-hydroxyethyl)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methyl benzoate
Also Known As: 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol, [6-(2-benzoyloxy-1-hydroxyethyl)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methyl benzoate, [2-[6-(benzoyloxymethyl)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-2-hydroxy-ethyl] benzoate
| Molecular Formula | C27H26O8 |
|---|---|
| Molecular Weight | 478.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.16278 |
| Heavy Atoms | 35 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 7464-39-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2OC(C(C(O2)C(COC(=O)C3=CC=CC=C3)O)O)COC(=O)C4=CC=CC=C4 |
| InChIKey | PBDQBYAPPGCVBX-UHFFFAOYSA-N |
Product Overview
1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol (CAS 7464-39-3), with molecular formula C27H26O8 and molecular weight 478.16 g/mol. IUPAC: [6-(2-benzoyloxy-1-hydroxyethyl)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]methyl benzoate.
Chemical Property Profile of 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol
Property Insights of 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol
The XLogP value of 3.9 indicates that 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol. Following Lipinski's Rule of Five, 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol has 2 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-benzoyl-2,4-O-benzylidenehexitol?
The CAS number of 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol is 7464-39-3.
What is the molecular formula of 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol?
The molecular formula of 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol is C27H26O8.
What is the molecular weight of 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol?
The molecular weight of 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol is 478.16 g/mol.
Where can I buy 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol?
You can request a quote for 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol 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-benzoyl-2,4-O-benzylidenehexitol?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Di-O-benzoyl-2,4-O-benzylidenehexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.