![9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- structure](/static/products/5705/57052-30-9.webp)
9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-
TL;DR: 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- (CAS 57052-30-9) is a chemical compound with molecular formula C14H16N8O5Se and molecular weight 456.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)selanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Also Known As: 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-, 5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)selanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol, 9-(2-Deoxypentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)selanyl]-3,9-dihydro-2H-purin-2-imine, 9H-Purin-2-amine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-
| Molecular Formula | C14H16N8O5Se |
|---|---|
| Molecular Weight | 456.04 g/mol |
| LogP | -2.6541 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.0409 |
| Heavy Atoms | 28 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 57052-30-9 |
|---|---|
| SMILES | CN1C=NC(=C1[Se]C2=NC(=NC3=C2N=CN3C4CC(C(O4)CO)O)N)[N+](=O)[O-] |
| InChIKey | CWNWFUDUYKTHKR-UHFFFAOYSA-N |
Product Overview
9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- (CAS 57052-30-9), with molecular formula C14H16N8O5Se and molecular weight 456.04 g/mol. IUPAC: 5-[2-amino-6-(3-methyl-5-nitroimidazol-4-yl)selanylpurin-9-yl]-2-(hydroxymethyl)oxolan-3-ol.
Chemical Property Profile of 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-
Property Insights of 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-
The XLogP value of -2.6541 indicates that 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- 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 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-?
The CAS number of 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- is 57052-30-9.
What is the molecular formula of 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-?
The molecular formula of 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- is C14H16N8O5Se.
What is the molecular weight of 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-?
The molecular weight of 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- is 456.04 g/mol.
Where can I buy 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-?
You can request a quote for 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-?
Yes, KEHONG BIO provides custom synthesis services for 9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.