5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid
TL;DR: 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid (CAS 39102-61-9) is a chemical compound with molecular formula C11H18N6O5 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(dimethylaminodiazenyl)pyrazole-4-carboxamide
Also Known As: 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid, 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(dimethylaminodiazenyl)pyrazole-4-carboxamide
| Molecular Formula | C11H18N6O5 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.13388 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 39102-61-9 |
|---|---|
| SMILES | CN(C)N=NC1=C(C=NN1C2C(C(C(O2)CO)O)O)C(=O)N |
| InChIKey | LYZLKMGRSFXSNO-UHFFFAOYSA-N |
Product Overview
5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid (CAS 39102-61-9), with molecular formula C11H18N6O5 and molecular weight 314.13 g/mol. IUPAC: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(dimethylaminodiazenyl)pyrazole-4-carboxamide.
Chemical Property Profile of 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid
Property Insights of 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid
The XLogP value of -1.5 indicates that 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid has 4 hydrogen bond donor(s) and 9 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-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid?
The CAS number of 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid is 39102-61-9.
What is the molecular formula of 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid?
The molecular formula of 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid is C11H18N6O5.
What is the molecular weight of 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid?
The molecular weight of 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid is 314.13 g/mol.
Where can I buy 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid?
You can request a quote for 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,3-Dimethyltriaz-1-en-1-yl)-1-pentofuranosyl-1H-pyrazole-4-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.