![[3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate structure](/static/products/6741/6741-90-8.webp)
[3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate
TL;DR: [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate (CAS 6741-90-8) is a chemical compound with molecular formula C31H24N4O7S and molecular weight 596.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate
Also Known As: Inosine, 2',3',5'-tribenzoate, Inosine, 6-thio-, 2',3',5'-tribenzoate, 9H-Purine-6-thiol, 2',3',5'-tribenzoate, [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate, 9-(2,3,5-Tri-O-benzoylpentofuranosyl)-3,9-dihydro-6H-purine-6-thione
| Molecular Formula | C31H24N4O7S |
|---|---|
| Molecular Weight | 596.14 g/mol |
| LogP | 4.69449 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 596.1366 |
| Heavy Atoms | 43 |
| Complexity | 1812.0411 |
Chemical Identifiers
| CAS Number | 6741-90-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6 |
Product Overview
[3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate (CAS 6741-90-8), with molecular formula C31H24N4O7S and molecular weight 596.14 g/mol. IUPAC: [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate.
Chemical Property Profile of [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate
Property Insights of [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate
The XLogP value of 4.69449 indicates that [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.63 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate. Following Lipinski's Rule of Five, [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate has 1 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-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate?
The CAS number of [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate is 6741-90-8.
What is the molecular formula of [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate?
The molecular formula of [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate is C31H24N4O7S.
What is the molecular weight of [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate?
The molecular weight of [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate is 596.14 g/mol.
Where can I buy [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate?
You can request a quote for [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-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-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [3,4-dibenzoyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.