2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide
TL;DR: 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide (CAS 324778-21-4) is a chemical compound with molecular formula C18H14ClN5O6 and molecular weight 431.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide
Also Known As: BAS 00521254, 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide, 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3,5-bisnitrobenzamide, N-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))(2-chloro-3,5-dinitrophenyl)c arboxamide
| Molecular Formula | C18H14ClN5O6 |
|---|---|
| Molecular Weight | 431.06 g/mol |
| LogP | 3.20652 |
| Topological Polar Surface Area | 142.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 431.06326 |
| Heavy Atoms | 30 |
| Complexity | 1248.1882 |
Chemical Identifiers
| CAS Number | 324778-21-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide (CAS 324778-21-4), with molecular formula C18H14ClN5O6 and molecular weight 431.06 g/mol. IUPAC: 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide.
Chemical Property Profile of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide
Property Insights of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide
The XLogP value of 3.20652 indicates that 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.31 Ų indicates high polarity, suggesting 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide has 1 hydrogen bond donor(s) and 6 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-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide?
The CAS number of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide is 324778-21-4.
What is the molecular formula of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide?
The molecular formula of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide is C18H14ClN5O6.
What is the molecular weight of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide?
The molecular weight of 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide is 431.06 g/mol.
Where can I buy 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide?
You can request a quote for 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.