4-iodo-1H-pyrazole-3-carboxylic acid
TL;DR: 4-iodo-1H-pyrazole-3-carboxylic acid (CAS 400753-02-8) is a chemical compound with molecular formula C4H3IN2O2 and molecular weight 237.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-1H-pyrazole-5-carboxylic acid
Also Known As: 4-iodo-1H-pyrazole-5-carboxylic acid, 4-iodo-1H-pyrazole-3-carboxylic acid, 4-iodo-pyrazole-3-carboxylic acid, 4-iodopyrazolecarboxylic, 4-Iodo-2H-pyrazole-3-carboxylic acid
| Molecular Formula | C4H3IN2O2 |
|---|---|
| Molecular Weight | 237.92 g/mol |
| LogP | 0.7125 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.92392 |
| Heavy Atoms | 9 |
| Complexity | 232.22644 |
Chemical Identifiers
| CAS Number | 400753-02-8 |
|---|---|
| SMILES | C1=NNC(=C1I)C(=O)O |
Product Overview
4-iodo-1H-pyrazole-3-carboxylic acid (CAS 400753-02-8), with molecular formula C4H3IN2O2 and molecular weight 237.92 g/mol. IUPAC: 4-iodo-1H-pyrazole-5-carboxylic acid.
Chemical Property Profile of 4-iodo-1H-pyrazole-3-carboxylic acid
Property Insights of 4-iodo-1H-pyrazole-3-carboxylic acid
The XLogP value of 0.7125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-iodo-1H-pyrazole-3-carboxylic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-iodo-1H-pyrazole-3-carboxylic acid. Following Lipinski's Rule of Five, 4-iodo-1H-pyrazole-3-carboxylic acid has 2 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 4-iodo-1H-pyrazole-3-carboxylic acid?
The CAS number of 4-iodo-1H-pyrazole-3-carboxylic acid is 400753-02-8.
What is the molecular formula of 4-iodo-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4-iodo-1H-pyrazole-3-carboxylic acid is C4H3IN2O2.
What is the molecular weight of 4-iodo-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4-iodo-1H-pyrazole-3-carboxylic acid is 237.92 g/mol.
Where can I buy 4-iodo-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4-iodo-1H-pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-iodo-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-iodo-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.