6-(4-Nitrobenzylthio)guanosine
TL;DR: 6-(4-Nitrobenzylthio)guanosine (CAS 13153-27-0) is a chemical compound with molecular formula C17H18N6O6S and molecular weight 434.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5R)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Also Known As: NBTGR, 7-Nbtgf, p-NBTGR, Nitrobenzylthioguanosine, NBTG
| Molecular Formula | C17H18N6O6S |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.10086 |
| Heavy Atoms | 30 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 13153-27-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N)[N+](=O)[O-] |
| InChIKey | BRSNNJIJEZWSBU-XNIJJKJLSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-(4-Nitrobenzylthio)guanosine (CAS 13153-27-0), with molecular formula C17H18N6O6S and molecular weight 434.10 g/mol. IUPAC: (2R,3R,4S,5R)-2-[2-amino-6-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
Chemical Property Profile of 6-(4-Nitrobenzylthio)guanosine
Property Insights of 6-(4-Nitrobenzylthio)guanosine
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(4-Nitrobenzylthio)guanosine. The TPSA of 211.0 Ų indicates high polarity, suggesting 6-(4-Nitrobenzylthio)guanosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-(4-Nitrobenzylthio)guanosine 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-(4-Nitrobenzylthio)guanosine?
The CAS number of 6-(4-Nitrobenzylthio)guanosine is 13153-27-0.
What is the molecular formula of 6-(4-Nitrobenzylthio)guanosine?
The molecular formula of 6-(4-Nitrobenzylthio)guanosine is C17H18N6O6S.
What is the molecular weight of 6-(4-Nitrobenzylthio)guanosine?
The molecular weight of 6-(4-Nitrobenzylthio)guanosine is 434.10 g/mol.
Where can I buy 6-(4-Nitrobenzylthio)guanosine?
You can request a quote for 6-(4-Nitrobenzylthio)guanosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(4-Nitrobenzylthio)guanosine?
Yes, KEHONG BIO provides custom synthesis services for 6-(4-Nitrobenzylthio)guanosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.