7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine
TL;DR: 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine (CAS 64372-71-0) is a chemical compound with molecular formula C17H17N5O6S and molecular weight 419.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidin-1-yl]oxolane-3,4-diol
Also Known As: Nitrobenzylthioformycin, 7-Nbtf, 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidin-1-yl]oxolane-3,4-diol, 2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazo
| Molecular Formula | C17H17N5O6S |
|---|---|
| Molecular Weight | 419.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.08997 |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 64372-71-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC=NC3=C2C=NN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[N+](=O)[O-] |
| InChIKey | NSHWXIMQXLHUQU-VMUDFCTBSA-N |
Product Overview
7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine (CAS 64372-71-0), with molecular formula C17H17N5O6S and molecular weight 419.09 g/mol. IUPAC: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[5,4-d]pyrimidin-1-yl]oxolane-3,4-diol.
Chemical Property Profile of 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine
Property Insights of 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine. The TPSA of 185.0 Ų indicates high polarity, suggesting 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine has 3 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 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine?
The CAS number of 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine is 64372-71-0.
What is the molecular formula of 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine?
The molecular formula of 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine is C17H17N5O6S.
What is the molecular weight of 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine?
The molecular weight of 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine is 419.09 g/mol.
Where can I buy 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine?
You can request a quote for 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-((4-Nitrobenzyl)thio)-3-(beta-D-ribofuranosyl)pyrazolo(4,3-d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.