5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid
TL;DR: 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid (CAS 55781-71-0) is a chemical compound with molecular formula C9H14N4O5 and molecular weight 258.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(3,4,5-trihydroxyoxan-2-yl)imidazole-4-carboxamide
Also Known As: 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid, 5-amino-1-(3,4,5-trihydroxyoxan-2-yl)imidazole-4-carboxamide
| Molecular Formula | C9H14N4O5 |
|---|---|
| Molecular Weight | 258.10 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.0964 |
| Heavy Atoms | 18 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 55781-71-0 |
|---|---|
| SMILES | C1C(C(C(C(O1)N2C=NC(=C2N)C(=O)N)O)O)O |
| InChIKey | RRAQCTKVCIHPDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid (CAS 55781-71-0), with molecular formula C9H14N4O5 and molecular weight 258.10 g/mol. IUPAC: 5-amino-1-(3,4,5-trihydroxyoxan-2-yl)imidazole-4-carboxamide.
Chemical Property Profile of 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid
Property Insights of 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid
The XLogP value of -2.7 indicates that 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid has 5 hydrogen bond donor(s) and 7 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-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid?
The CAS number of 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid is 55781-71-0.
What is the molecular formula of 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid?
The molecular formula of 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid is C9H14N4O5.
What is the molecular weight of 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid?
The molecular weight of 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid is 258.10 g/mol.
Where can I buy 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid?
You can request a quote for 5-Amino-1-pentopyranosyl-1H-imidazole-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-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-1-pentopyranosyl-1H-imidazole-4-carboximidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.