5-硝基-2H-1,2,3-三唑-4-甲酸
TL;DR: 5-硝基-2H-1,2,3-三唑-4-甲酸 (CAS 524036-05-3) is a chemical compound with molecular formula C3H2N4O4 and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-硝基-2H-1,2,3-三唑-4-甲酸
5-nitro-2H-triazole-4-carboxylic acid
Also Known As: 5-nitro-2H-triazole-4-carboxylic acid, 5-nitro-2H-1,2,3-triazole-4-carboxylic acid, 1H-1,2,3-Triazole-4-carboxylicacid, 5-nitro-, ZERO/001850, 5-Nitro-1H-1,2,3-triazole-4-carboxylic acid
| Molecular Formula | C3H2N4O4 |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.0076 |
| Heavy Atoms | 11 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 524036-05-3 |
|---|---|
| SMILES | C1(=NNN=C1[N+](=O)[O-])C(=O)O |
| InChIKey | KUSAQLMAEMVDRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-硝基-2H-1,2,3-三唑-4-甲酸 (CAS 524036-05-3), with molecular formula C3H2N4O4 and molecular weight 158.01 g/mol. IUPAC: 5-nitro-2H-triazole-4-carboxylic acid.
Chemical Property Profile of 5-硝基-2H-1,2,3-三唑-4-甲酸
Property Insights of 5-硝基-2H-1,2,3-三唑-4-甲酸
The XLogP value of -0.4 indicates that 5-硝基-2H-1,2,3-三唑-4-甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-硝基-2H-1,2,3-三唑-4-甲酸. Following Lipinski's Rule of Five, 5-硝基-2H-1,2,3-三唑-4-甲酸 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 5-硝基-2H-1,2,3-三唑-4-甲酸?
The CAS number of 5-硝基-2H-1,2,3-三唑-4-甲酸 is 524036-05-3.
What is the molecular formula of 5-硝基-2H-1,2,3-三唑-4-甲酸?
The molecular formula of 5-硝基-2H-1,2,3-三唑-4-甲酸 is C3H2N4O4.
What is the molecular weight of 5-硝基-2H-1,2,3-三唑-4-甲酸?
The molecular weight of 5-硝基-2H-1,2,3-三唑-4-甲酸 is 158.01 g/mol.
Where can I buy 5-硝基-2H-1,2,3-三唑-4-甲酸?
You can request a quote for 5-硝基-2H-1,2,3-三唑-4-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-硝基-2H-1,2,3-三唑-4-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-硝基-2H-1,2,3-三唑-4-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.