![3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine structure](/static/products/491/491831-79-9.png)
3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine
TL;DR: 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine (CAS 491831-79-9) is a chemical compound with molecular formula C22H20ClN5 and molecular weight 389.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine
Also Known As: 3-[3-tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine, 3-[3-tert-butyl-5-(4-chlorophenyl)-1H-pyrazol-1-yl]-5-phenyl-1,2,4-triazine, 3-[3-(TERT-BUTYL)-5-(4-CHLOROPHENYL)-1H-PYRAZOL-1-YL]-5-PHENYL-1,2,4-TRIAZINE
| Molecular Formula | C22H20ClN5 |
|---|---|
| Molecular Weight | 389.14 g/mol |
| LogP | 5.3422 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.14072 |
| Heavy Atoms | 28 |
| Complexity | 1095.9877 |
Chemical Identifiers
| CAS Number | 491831-79-9 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=NC(=CN=N3)C4=CC=CC=C4 |
Product Overview
3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine (CAS 491831-79-9), with molecular formula C22H20ClN5 and molecular weight 389.14 g/mol. IUPAC: 3-[3-tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine.
Chemical Property Profile of 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine
Property Insights of 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine
The XLogP value of 5.3422 indicates that 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine?
The CAS number of 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine is 491831-79-9.
What is the molecular formula of 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine?
The molecular formula of 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine is C22H20ClN5.
What is the molecular weight of 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine?
The molecular weight of 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine is 389.14 g/mol.
Where can I buy 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine?
You can request a quote for 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-Tert-butyl-5-(4-chlorophenyl)pyrazol-1-yl]-5-phenyl-1,2,4-triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.