Inosine, 2',3',5'-triacetate
TL;DR: Inosine, 2',3',5'-triacetate (CAS 4754-05-6) is a chemical compound with molecular formula C16H18N4O7S and molecular weight 410.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate
Also Known As: inosine, 2',3',5'-triacetate, BI 293, EINECS 221-169-9, 6-Thioinosine 2',3',5'-triacetate, Inosine, 6-thio-, 2',3',5'-triacetate
| Molecular Formula | C16H18N4O7S |
|---|---|
| Molecular Weight | 410.09 g/mol |
| LogP | 0.81279 |
| Topological Polar Surface Area | 134.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.08963 |
| Heavy Atoms | 28 |
| Complexity | 971.29865 |
Chemical Identifiers
| CAS Number | 4754-05-6 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)C)OC(=O)C |
Product Overview
Inosine, 2',3',5'-triacetate (CAS 4754-05-6), with molecular formula C16H18N4O7S and molecular weight 410.09 g/mol. IUPAC: [3,4-diacetyloxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of Inosine, 2',3',5'-triacetate
Property Insights of Inosine, 2',3',5'-triacetate
The XLogP value of 0.81279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Inosine, 2',3',5'-triacetate. The TPSA of 134.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Inosine, 2',3',5'-triacetate. Following Lipinski's Rule of Five, Inosine, 2',3',5'-triacetate has 1 hydrogen bond donor(s) and 10 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 Inosine, 2',3',5'-triacetate?
The CAS number of Inosine, 2',3',5'-triacetate is 4754-05-6.
What is the molecular formula of Inosine, 2',3',5'-triacetate?
The molecular formula of Inosine, 2',3',5'-triacetate is C16H18N4O7S.
What is the molecular weight of Inosine, 2',3',5'-triacetate?
The molecular weight of Inosine, 2',3',5'-triacetate is 410.09 g/mol.
Where can I buy Inosine, 2',3',5'-triacetate?
You can request a quote for Inosine, 2',3',5'-triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inosine, 2',3',5'-triacetate?
Yes, KEHONG BIO provides custom synthesis services for Inosine, 2',3',5'-triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.