(4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate
TL;DR: (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate (CAS 4064-29-3) is a chemical compound with molecular formula C19H18O6 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzoyloxy-5-hydroxyoxan-3-yl) benzoate
Also Known As: (4-benzoyloxy-5-hydroxyoxan-3-yl) benzoate, 1,5-Anhydro-2,3-di-O-benzoylpentitol
| Molecular Formula | C19H18O6 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.11035 |
| Heavy Atoms | 25 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 4064-29-3 |
|---|---|
| SMILES | C1C(C(C(CO1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O |
| InChIKey | HJWRVGIWNOHGQT-UHFFFAOYSA-N |
Product Overview
(4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate (CAS 4064-29-3), with molecular formula C19H18O6 and molecular weight 342.11 g/mol. IUPAC: (4-benzoyloxy-5-hydroxyoxan-3-yl) benzoate.
Chemical Property Profile of (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate
Property Insights of (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate. Following Lipinski's Rule of Five, (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate has 1 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 (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate?
The CAS number of (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate is 4064-29-3.
What is the molecular formula of (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate?
The molecular formula of (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate is C19H18O6.
What is the molecular weight of (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate?
The molecular weight of (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate is 342.11 g/mol.
Where can I buy (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate?
You can request a quote for (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Benzoyloxy-5-hydroxyoxan-3-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.