4-Iodopyrazole
TL;DR: 4-Iodopyrazole (CAS 3469-69-0) is a chemical compound with molecular formula C3H3IN2 and molecular weight 193.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-1H-pyrazole
Also Known As: 4-Iodopyrazole, 4-Iodo-1H-pyrazole, null, 4-iodo-pyrazole, 1H-Pyrazole, 4-iodo-
| Molecular Formula | C3H3IN2 |
|---|---|
| Molecular Weight | 193.93 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 193.9341 |
| Heavy Atoms | 6 |
| Complexity | 48.0 |
| Melting Point | 108-110 °C |
Chemical Identifiers
| CAS Number | 3469-69-0 |
|---|---|
| SMILES | C1=C(C=NN1)I |
| InChIKey | LLNQWPTUJJYTTE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Iodopyrazole (CAS 3469-69-0), with molecular formula C3H3IN2 and molecular weight 193.93 g/mol. IUPAC: 4-iodo-1H-pyrazole.
Chemical Property Profile of 4-Iodopyrazole
Property Insights of 4-Iodopyrazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodopyrazole. With a topological polar surface area (TPSA) of 28.7 Ų, 4-Iodopyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodopyrazole has 1 hydrogen bond donor(s) and 1 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-Iodopyrazole?
The CAS number of 4-Iodopyrazole is 3469-69-0.
What is the molecular formula of 4-Iodopyrazole?
The molecular formula of 4-Iodopyrazole is C3H3IN2.
What is the molecular weight of 4-Iodopyrazole?
The molecular weight of 4-Iodopyrazole is 193.93 g/mol.
Where can I buy 4-Iodopyrazole?
You can request a quote for 4-Iodopyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodopyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodopyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.