5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde
TL;DR: 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde (CAS 401571-12-8) is a chemical compound with molecular formula C16H10ClN3O3 and molecular weight 327.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(4-nitrophenyl)-1-phenylpyrazole-4-carbaldehyde
Also Known As: J2.007.320I, 1-Phenyl-3-(4-nitrophenyl)-5-chloro-1H-pyrazole-4-carbaldehyde, 5-chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde, 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde, 5-chloro-3-(4-nitrophenyl)-1-phenylpyrazole-4-carbaldehyde
| Molecular Formula | C16H10ClN3O3 |
|---|---|
| Molecular Weight | 327.04 g/mol |
| LogP | 3.9134 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.04108 |
| Heavy Atoms | 23 |
| Complexity | 873.59106 |
Chemical Identifiers
| CAS Number | 401571-12-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=O)Cl |
Product Overview
5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde (CAS 401571-12-8), with molecular formula C16H10ClN3O3 and molecular weight 327.04 g/mol. IUPAC: 5-chloro-3-(4-nitrophenyl)-1-phenylpyrazole-4-carbaldehyde.
Chemical Property Profile of 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde
Property Insights of 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde
The XLogP value of 3.9134 indicates that 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde. Following Lipinski's Rule of Five, 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde has 0 hydrogen bond donor(s) and 4 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 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde?
The CAS number of 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde is 401571-12-8.
What is the molecular formula of 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde?
The molecular formula of 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde is C16H10ClN3O3.
What is the molecular weight of 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde?
The molecular weight of 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde is 327.04 g/mol.
Where can I buy 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde?
You can request a quote for 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.