4-Iodo-1,3,5-trimethyl-1H-pyrazole
TL;DR: 4-Iodo-1,3,5-trimethyl-1H-pyrazole (CAS 51660-65-2) is a chemical compound with molecular formula C6H9IN2 and molecular weight 235.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-1,3,5-trimethylpyrazole
Also Known As: 4-Iodo-1,3,5-trimethyl-1H-pyrazole, 4-iodo-1,3,5-trimethylpyrazole, 1H-Pyrazole, 4-iodo-1,3,5-trimethyl-, 4-iodo-1,3,5-trimethyl-pyrazole, 1,3,5-TRIMETHYL-4-IODO-1H-PYRAZOLE
| Molecular Formula | C6H9IN2 |
|---|---|
| Molecular Weight | 235.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.98105 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 51660-65-2 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)I |
| InChIKey | RUOGLHMRBURIEQ-UHFFFAOYSA-N |
Product Overview
4-Iodo-1,3,5-trimethyl-1H-pyrazole (CAS 51660-65-2), with molecular formula C6H9IN2 and molecular weight 235.98 g/mol. IUPAC: 4-iodo-1,3,5-trimethylpyrazole.
Chemical Property Profile of 4-Iodo-1,3,5-trimethyl-1H-pyrazole
Property Insights of 4-Iodo-1,3,5-trimethyl-1H-pyrazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Iodo-1,3,5-trimethyl-1H-pyrazole. With a topological polar surface area (TPSA) of 17.8 Ų, 4-Iodo-1,3,5-trimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Iodo-1,3,5-trimethyl-1H-pyrazole has 0 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-Iodo-1,3,5-trimethyl-1H-pyrazole?
The CAS number of 4-Iodo-1,3,5-trimethyl-1H-pyrazole is 51660-65-2.
What is the molecular formula of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?
The molecular formula of 4-Iodo-1,3,5-trimethyl-1H-pyrazole is C6H9IN2.
What is the molecular weight of 4-Iodo-1,3,5-trimethyl-1H-pyrazole?
The molecular weight of 4-Iodo-1,3,5-trimethyl-1H-pyrazole is 235.98 g/mol.
Where can I buy 4-Iodo-1,3,5-trimethyl-1H-pyrazole?
You can request a quote for 4-Iodo-1,3,5-trimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Iodo-1,3,5-trimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Iodo-1,3,5-trimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.