RefChem:505805
TL;DR: RefChem:505805 (CAS 13458-81-6) is a chemical compound with molecular formula C16H12ClN5O3 and molecular weight 357.06287 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-chloro-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Also Known As: 4-[(2-Chloro-4-nitrophenyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one, BAS 00744894, 4-[(2-chloro-4-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one, 4-((2-Chloro-4-nitrophenyl)azo)-3-methyl-1-phenyl-2-pyrazolin-5-one, 2-Pyrazolin-5-one, 4-(2-chloro-4-nitrophenylazo)-3-methyl-1-phenyl-
Technical Specifications
| Molecular Formula | C16H12ClN5O3 |
| Molecular Weight | 357.06287 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.06287 Da |
| Heavy Atoms | 25 |
| Complexity | 585.0 |
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3 |
| InChIKey | DQQZSKXVLOLAOF-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:505805
Property Insights of RefChem:505805
The XLogP value of 3.8 indicates that RefChem:505805 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:505805. Following Lipinski's Rule of Five, RefChem:505805 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:505805?
The CAS number of RefChem:505805 is 13458-81-6.
What is the molecular formula of RefChem:505805?
The molecular formula of RefChem:505805 is C16H12ClN5O3.
What is the molecular weight of RefChem:505805?
The molecular weight of RefChem:505805 is 357.06287 g/mol.
Where can I buy RefChem:505805?
You can request a quote for RefChem:505805 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:505805?
Yes, CoreyChem provides custom synthesis services for RefChem:505805 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.