2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole
TL;DR: 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole (CAS 494745-89-0) is a chemical compound with molecular formula C18H12ClN5O4 and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole
Also Known As: 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole, 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4,6-bisnitro-1H-indole, 2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-4,6-dinitro-1H-indole, 4-(4,6-dinitroindol-2-yl)-5-chloro-3-methyl-1-phenylpyrazole
| Molecular Formula | C18H12ClN5O4 |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 4.79882 |
| Topological Polar Surface Area | 119.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.05777 |
| Heavy Atoms | 28 |
| Complexity | 1246.0851 |
Chemical Identifiers
| CAS Number | 494745-89-0 |
|---|---|
| SMILES | CC1=NN(C(=C1C2=CC3=C(N2)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])Cl)C4=CC=CC=C4 |
Product Overview
2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole (CAS 494745-89-0), with molecular formula C18H12ClN5O4 and molecular weight 397.06 g/mol. IUPAC: 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole.
Chemical Property Profile of 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole
Property Insights of 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole
The XLogP value of 4.79882 indicates that 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole. Following Lipinski's Rule of Five, 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole has 1 hydrogen bond donor(s) and 5 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 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole?
The CAS number of 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole is 494745-89-0.
What is the molecular formula of 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole?
The molecular formula of 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole is C18H12ClN5O4.
What is the molecular weight of 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole?
The molecular weight of 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole is 397.06 g/mol.
Where can I buy 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole?
You can request a quote for 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-4,6-dinitro-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.