4,5-二氢-5-氧代-1H-吡唑-3-甲酸
TL;DR: 4,5-二氢-5-氧代-1H-吡唑-3-甲酸 (CAS 71173-77-8) is a chemical compound with molecular formula C4H4N2O3 and molecular weight 128.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-二氢-5-氧代-1H-吡唑-3-甲酸
5-oxo-1,4-dihydropyrazole-3-carboxylic acid
Also Known As: 5-Oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid, 4,5-Dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, 5-Oxo-2-pyrazoline-3-carboxylic acid, 5-oxo-1,4-dihydropyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-
| Molecular Formula | C4H4N2O3 |
|---|---|
| Molecular Weight | 128.02 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.02219 |
| Heavy Atoms | 9 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 71173-77-8 |
|---|---|
| SMILES | C1C(=NNC1=O)C(=O)O |
| InChIKey | YKJJEZSCAQDLOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-二氢-5-氧代-1H-吡唑-3-甲酸 (CAS 71173-77-8), with molecular formula C4H4N2O3 and molecular weight 128.02 g/mol. IUPAC: 5-oxo-1,4-dihydropyrazole-3-carboxylic acid.
Chemical Property Profile of 4,5-二氢-5-氧代-1H-吡唑-3-甲酸
Property Insights of 4,5-二氢-5-氧代-1H-吡唑-3-甲酸
The XLogP value of -0.8 indicates that 4,5-二氢-5-氧代-1H-吡唑-3-甲酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-二氢-5-氧代-1H-吡唑-3-甲酸. Following Lipinski's Rule of Five, 4,5-二氢-5-氧代-1H-吡唑-3-甲酸 has 2 hydrogen bond donor(s) and 4 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 4,5-二氢-5-氧代-1H-吡唑-3-甲酸?
The CAS number of 4,5-二氢-5-氧代-1H-吡唑-3-甲酸 is 71173-77-8.
What is the molecular formula of 4,5-二氢-5-氧代-1H-吡唑-3-甲酸?
The molecular formula of 4,5-二氢-5-氧代-1H-吡唑-3-甲酸 is C4H4N2O3.
What is the molecular weight of 4,5-二氢-5-氧代-1H-吡唑-3-甲酸?
The molecular weight of 4,5-二氢-5-氧代-1H-吡唑-3-甲酸 is 128.02 g/mol.
Where can I buy 4,5-二氢-5-氧代-1H-吡唑-3-甲酸?
You can request a quote for 4,5-二氢-5-氧代-1H-吡唑-3-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-二氢-5-氧代-1H-吡唑-3-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 4,5-二氢-5-氧代-1H-吡唑-3-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.