5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide
TL;DR: 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide (CAS 73591-54-5) is a chemical compound with molecular formula C10H13N5O5 and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide
Also Known As: 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide, 5-(Cyanomethyl)-2-pentofuranosyl-2H-1,2,3-triazole-4-carboxamide
| Molecular Formula | C10H13N5O5 |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.09167 |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 73591-54-5 |
|---|---|
| SMILES | C(C#N)C1=NN(N=C1C(=O)N)C2C(C(C(O2)CO)O)O |
| InChIKey | XNJMRGYHHUDSMD-UHFFFAOYSA-N |
Product Overview
5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide (CAS 73591-54-5), with molecular formula C10H13N5O5 and molecular weight 283.09 g/mol. IUPAC: 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide.
Chemical Property Profile of 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide
Property Insights of 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide
The XLogP value of -2.5 indicates that 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide has 4 hydrogen bond donor(s) and 8 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 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide?
The CAS number of 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide is 73591-54-5.
What is the molecular formula of 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide?
The molecular formula of 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide is C10H13N5O5.
What is the molecular weight of 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide?
The molecular weight of 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide is 283.09 g/mol.
Where can I buy 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide?
You can request a quote for 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(cyanomethyl)-2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.