S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine
TL;DR: S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine (CAS 56964-73-9) is a chemical compound with molecular formula C17H17N5O7S and molecular weight 435.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-5-[6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol
Also Known As: S-(2-Hydroxy-5-nitrobenzyl)-6-thioinosine, S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine, (2R,3R,4S,5R)-2-(6-((2-Hydroxy-5-nitrobenzyl)thio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, (2R,3R,4S,5R)-2-(6-{[(2-hydroxy-5-nitrophenyl)methyl]sulfanyl}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol
| Molecular Formula | C17H17N5O7S |
|---|---|
| Molecular Weight | 435.08 g/mol |
| LogP | 0.3439 |
| Topological Polar Surface Area | 176.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.08487 |
| Heavy Atoms | 30 |
| Complexity | 1093.5443 |
Chemical Identifiers
| CAS Number | 56964-73-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)O |
Product Overview
S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine (CAS 56964-73-9), with molecular formula C17H17N5O7S and molecular weight 435.08 g/mol. IUPAC: 2-(hydroxymethyl)-5-[6-[(2-hydroxy-5-nitrophenyl)methylsulfanyl]purin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine
Property Insights of S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine
The XLogP value of 0.3439 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine. The TPSA of 176.89 Ų indicates high polarity, suggesting S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine?
The CAS number of S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine is 56964-73-9.
What is the molecular formula of S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine?
The molecular formula of S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine is C17H17N5O7S.
What is the molecular weight of S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine?
The molecular weight of S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine is 435.08 g/mol.
Where can I buy S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine?
You can request a quote for S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine?
Yes, KEHONG BIO provides custom synthesis services for S-(2-Hydroxy-5-nitrobenzoyl)-6-thioinosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.