4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile
TL;DR: 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile (CAS 10363-27-6) is a chemical compound with molecular formula C15H16N4O9 and molecular weight 396.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4-diacetyloxy-5-(5-cyano-4-nitroimidazol-1-yl)oxolan-2-yl]methyl acetate
Also Known As: 4-nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile, [3,4-diacetyloxy-5-(5-cyano-4-nitroimidazol-1-yl)oxolan-2-yl]methyl acetate, [(2R,3R,4R,5R)-3,4-diacetyloxy-5-(5-cyano-4-nitroimidazol-1-yl)oxolan-2-yl]methyl acetate
| Molecular Formula | C15H16N4O9 |
|---|---|
| Molecular Weight | 396.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.09174 |
| Heavy Atoms | 28 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 10363-27-6 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(O1)N2C=NC(=C2C#N)[N+](=O)[O-])OC(=O)C)OC(=O)C |
| InChIKey | KBNKULLQJGILOP-UHFFFAOYSA-N |
Product Overview
4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile (CAS 10363-27-6), with molecular formula C15H16N4O9 and molecular weight 396.09 g/mol. IUPAC: [3,4-diacetyloxy-5-(5-cyano-4-nitroimidazol-1-yl)oxolan-2-yl]methyl acetate.
Chemical Property Profile of 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile
Property Insights of 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile. The TPSA of 176.0 Ų indicates high polarity, suggesting 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile has 0 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 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile?
The CAS number of 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile is 10363-27-6.
What is the molecular formula of 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile?
The molecular formula of 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile is C15H16N4O9.
What is the molecular weight of 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile?
The molecular weight of 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile is 396.09 g/mol.
Where can I buy 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile?
You can request a quote for 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1-(2,3,5-tri-o-acetylpentofuranosyl)-1h-imidazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.