6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine
TL;DR: 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine (CAS 109982-34-5) is a chemical compound with molecular formula C17H16IN5O7S and molecular weight 560.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: IH-Nbmpr, Iodohydroxynitrobenzylthioinosine, 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine, (2R,3R,4S,5R)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol, 2-Iodo-4-nitro-6-(((9-beta-D-ribofuranosyl-9H-purin-6-yl)thio)methyl)phenol
| Molecular Formula | C17H16IN5O7S |
|---|---|
| Molecular Weight | 560.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 205.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 560.9815 |
| Heavy Atoms | 31 |
| Complexity | 650.0 |
Chemical Identifiers
| CAS Number | 109982-34-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1CSC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O)I)[N+](=O)[O-] |
| InChIKey | DKVZUGNICGXNBN-IWCJZZDYSA-N |
Product Overview
6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine (CAS 109982-34-5), with molecular formula C17H16IN5O7S and molecular weight 560.98 g/mol. IUPAC: (2R,3R,4S,5R)-2-[6-[(2-hydroxy-3-iodo-5-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine
Property Insights of 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine. The TPSA of 205.0 Ų indicates high polarity, suggesting 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine 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 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine?
The CAS number of 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine is 109982-34-5.
What is the molecular formula of 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine?
The molecular formula of 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine is C17H16IN5O7S.
What is the molecular weight of 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine?
The molecular weight of 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine is 560.98 g/mol.
Where can I buy 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine?
You can request a quote for 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine?
Yes, KEHONG BIO provides custom synthesis services for 6-((2-Hydroxy-3-iodo-5-nitrobenzyl)thio)-9-ribofuranosylpurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.