1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile
TL;DR: 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile (CAS 70042-27-2) is a chemical compound with molecular formula C16H16N4O7 and molecular weight 376.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4,5-diacetyloxy-6-(4,5-dicyanoimidazol-1-yl)oxan-3-yl] acetate
Also Known As: 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile, [4,5-diacetyloxy-6-(4,5-dicyanoimidazol-1-yl)oxan-3-yl] acetate
| Molecular Formula | C16H16N4O7 |
|---|---|
| Molecular Weight | 376.10 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.1019 |
| Heavy Atoms | 27 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 70042-27-2 |
|---|---|
| SMILES | CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC(=C2C#N)C#N |
| InChIKey | KPIOTNXTNODTPK-UHFFFAOYSA-N |
Product Overview
1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile (CAS 70042-27-2), with molecular formula C16H16N4O7 and molecular weight 376.10 g/mol. IUPAC: [4,5-diacetyloxy-6-(4,5-dicyanoimidazol-1-yl)oxan-3-yl] acetate.
Chemical Property Profile of 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile
Property Insights of 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile
The XLogP value of -0.3 indicates that 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile has 0 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 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile?
The CAS number of 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile is 70042-27-2.
What is the molecular formula of 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile?
The molecular formula of 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile is C16H16N4O7.
What is the molecular weight of 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile?
The molecular weight of 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile is 376.10 g/mol.
Where can I buy 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile?
You can request a quote for 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3,4-Tri-O-acetylpentopyranosyl)-1H-imidazole-4,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.