(3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate
TL;DR: (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate (CAS 286369-05-9) is a chemical compound with molecular formula C35H27NO9 and molecular weight 605.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate
Also Known As: 2,3,4,6-Tetra-O-benzoyl-b-D-glucopyranosyl cyanide, (3,4,5-tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate, [4,5-dibenzoyloxy-2-(benzoyloxymethyl)-6-cyano-oxan-3-yl] Benzoate
| Molecular Formula | C35H27NO9 |
|---|---|
| Molecular Weight | 605.17 g/mol |
| LogP | 4.81118 |
| Topological Polar Surface Area | 138.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 605.1686 |
| Heavy Atoms | 45 |
| Complexity | 1657.3838 |
Chemical Identifiers
| CAS Number | 286369-05-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)C#N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
Product Overview
(3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate (CAS 286369-05-9), with molecular formula C35H27NO9 and molecular weight 605.17 g/mol. IUPAC: (3,4,5-tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate.
Chemical Property Profile of (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate
Property Insights of (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate
The XLogP value of 4.81118 indicates that (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate. Following Lipinski's Rule of Five, (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate?
The CAS number of (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate is 286369-05-9.
What is the molecular formula of (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate?
The molecular formula of (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate is C35H27NO9.
What is the molecular weight of (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate?
The molecular weight of (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate is 605.17 g/mol.
Where can I buy (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate?
You can request a quote for (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3,4,5-Tribenzoyloxy-6-cyanooxan-2-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.