4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole
TL;DR: 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole (CAS 50847-40-0) is a chemical compound with molecular formula C8H9ClN2 and molecular weight 168.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chloroethynyl)-1,3,5-trimethylpyrazole
Also Known As: 4-(2-chloroethynyl)-1,3,5-trimethylpyrazole, 4-chloroethynyl-1,3,5-trimethyl-1H-pyrazole, 4-(2-chloroethynyl)-1,3,5-trimethyl-pyrazole, 4-(Chloroethynyl)-1,3,5-trimethyl-1H-pyrazole, 1H-Pyrazole, 4-(chloroethynyl)-1,3,5-trimethyl-
| Molecular Formula | C8H9ClN2 |
|---|---|
| Molecular Weight | 168.05 g/mol |
| LogP | 1.58474 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.04543 |
| Heavy Atoms | 11 |
| Complexity | 327.84174 |
Chemical Identifiers
| CAS Number | 50847-40-0 |
|---|---|
| SMILES | CC1=C(C(=NN1C)C)C#CCl |
Product Overview
4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole (CAS 50847-40-0), with molecular formula C8H9ClN2 and molecular weight 168.05 g/mol. IUPAC: 4-(2-chloroethynyl)-1,3,5-trimethylpyrazole.
Chemical Property Profile of 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole
Property Insights of 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole
The XLogP value of 1.58474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole. With a topological polar surface area (TPSA) of 17.82 Ų, 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole 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-(2-Chloroethynyl)-1,3,5-trimethylpyrazole?
The CAS number of 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole is 50847-40-0.
What is the molecular formula of 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole?
The molecular formula of 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole is C8H9ClN2.
What is the molecular weight of 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole?
The molecular weight of 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole is 168.05 g/mol.
Where can I buy 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole?
You can request a quote for 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Chloroethynyl)-1,3,5-trimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.