Se-(p-Nitrobenzyl)-6-selenoinosine
TL;DR: Se-(p-Nitrobenzyl)-6-selenoinosine (CAS 40144-12-5) is a chemical compound with molecular formula C17H17N5O6Se and molecular weight 467.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylselanyl]purin-9-yl]oxolane-3,4-diol
Also Known As: 5-Methoxytryptophol, Se-(p-Nitrobenzyl)-6-selenoinosine, 4'-Nitrobenzoyl-6-selenoinosine, Se-(p-nitrobenzyl)-6-seleno-inosine, 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylselanyl]purin-9-yl]oxolane-3,4-diol
| Molecular Formula | C17H17N5O6Se |
|---|---|
| Molecular Weight | 467.03 g/mol |
| LogP | -1.1243 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.03442 |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 40144-12-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C[Se]C2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-] |
| InChIKey | XCNANXPIYMOXKW-UHFFFAOYSA-N |
Product Overview
Se-(p-Nitrobenzyl)-6-selenoinosine (CAS 40144-12-5), with molecular formula C17H17N5O6Se and molecular weight 467.03 g/mol. IUPAC: 2-(hydroxymethyl)-5-[6-[(4-nitrophenyl)methylselanyl]purin-9-yl]oxolane-3,4-diol.
Chemical Property Profile of Se-(p-Nitrobenzyl)-6-selenoinosine
Property Insights of Se-(p-Nitrobenzyl)-6-selenoinosine
The XLogP value of -1.1243 indicates that Se-(p-Nitrobenzyl)-6-selenoinosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting Se-(p-Nitrobenzyl)-6-selenoinosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Se-(p-Nitrobenzyl)-6-selenoinosine has 3 hydrogen bond donor(s) and 9 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 Se-(p-Nitrobenzyl)-6-selenoinosine?
The CAS number of Se-(p-Nitrobenzyl)-6-selenoinosine is 40144-12-5.
What is the molecular formula of Se-(p-Nitrobenzyl)-6-selenoinosine?
The molecular formula of Se-(p-Nitrobenzyl)-6-selenoinosine is C17H17N5O6Se.
What is the molecular weight of Se-(p-Nitrobenzyl)-6-selenoinosine?
The molecular weight of Se-(p-Nitrobenzyl)-6-selenoinosine is 467.03 g/mol.
Where can I buy Se-(p-Nitrobenzyl)-6-selenoinosine?
You can request a quote for Se-(p-Nitrobenzyl)-6-selenoinosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Se-(p-Nitrobenzyl)-6-selenoinosine?
Yes, KEHONG BIO provides custom synthesis services for Se-(p-Nitrobenzyl)-6-selenoinosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.