2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid
TL;DR: 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid (CAS 876716-99-3) is a chemical compound with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-oxo-1,2-dihydropyrazol-4-yl)acetic acid
Also Known As: (3-hydroxy-1H-pyrazol-4-yl)acetic acid, 2-(3-Hydroxy-1H-pyrazol-4-yl)acetic acid, 2-(3-oxo-1,2-dihydropyrazol-4-yl)acetic acid, BAS 10151791, 2-(3-hydroxypyrazol-4-yl)acetic acid
| Molecular Formula | C5H6N2O3 |
|---|---|
| Molecular Weight | 142.04 g/mol |
| LogP | -0.6699 |
| Topological Polar Surface Area | 85.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 142.03784 |
| Heavy Atoms | 10 |
| Complexity | 285.08322 |
Chemical Identifiers
| CAS Number | 876716-99-3 |
|---|---|
| SMILES | C1=C(C(=O)NN1)CC(=O)O |
Product Overview
2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid (CAS 876716-99-3), with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol. IUPAC: 2-(3-oxo-1,2-dihydropyrazol-4-yl)acetic acid.
Chemical Property Profile of 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid
Property Insights of 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid
The XLogP value of -0.6699 indicates that 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 85.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid. Following Lipinski's Rule of Five, 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid has 3 hydrogen bond donor(s) and 2 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 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid?
The CAS number of 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid is 876716-99-3.
What is the molecular formula of 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid?
The molecular formula of 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid is C5H6N2O3.
What is the molecular weight of 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid?
The molecular weight of 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid is 142.04 g/mol.
Where can I buy 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid?
You can request a quote for 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-oxo-2,3-dihydro-1H-pyrazol-4-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.