1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile
TL;DR: 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile (CAS 54918-19-3) is a chemical compound with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,5R)-5-(3,5-dioxo-1,2,4-triazin-2-yl)-3-hydroxyoxolane-2-carbonitrile
Also Known As: 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile, beta-D-erythro-Pentofuranurononitrile, 1,2-dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-, (2R,3S,5R)-5-(3,5-dioxo-1,2,4-triazin-2-yl)-3-hydroxyoxolane-2-carbonitrile, .beta.-D-erythro-Pentofuranurononitrile, 1,2-dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-
| Molecular Formula | C8H8N4O4 |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.05455 |
| Heavy Atoms | 16 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 54918-19-3 |
|---|---|
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C(=O)NC(=O)C=N2)C#N)O |
| InChIKey | HOQNRKQJJJOAKO-HBPOCXIASA-N |
Product Overview
1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile (CAS 54918-19-3), with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol. IUPAC: (2R,3S,5R)-5-(3,5-dioxo-1,2,4-triazin-2-yl)-3-hydroxyoxolane-2-carbonitrile.
Chemical Property Profile of 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile
Property Insights of 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile
The XLogP value of -0.8 indicates that 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile. Following Lipinski's Rule of Five, 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile has 2 hydrogen bond donor(s) and 6 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-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile?
The CAS number of 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile is 54918-19-3.
What is the molecular formula of 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile?
The molecular formula of 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile is C8H8N4O4.
What is the molecular weight of 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile?
The molecular weight of 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile is 224.05 g/mol.
Where can I buy 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile?
You can request a quote for 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dideoxy-1-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-beta-D-erythro-Pentofuranurononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.