5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one
TL;DR: 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one (CAS 71965-08-7) is a chemical compound with molecular formula C9H6Cl3N3O and molecular weight 276.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-one
Also Known As: EINECS 276-228-1, 3-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-one, 5-Amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one, 3H-Pyrazol-3-one,5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-, 5-Amino-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3(2H)-one
| Molecular Formula | C9H6Cl3N3O |
|---|---|
| Molecular Weight | 276.96 g/mol |
| LogP | 2.708 |
| Topological Polar Surface Area | 63.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.95764 |
| Heavy Atoms | 16 |
| Complexity | 579.28204 |
Chemical Identifiers
| CAS Number | 71965-08-7 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N2C(=CC(=O)N2)N)Cl)Cl |
Product Overview
5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one (CAS 71965-08-7), with molecular formula C9H6Cl3N3O and molecular weight 276.96 g/mol. IUPAC: 3-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-one.
Chemical Property Profile of 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one
Property Insights of 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one
The XLogP value of 2.708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one. The TPSA of 63.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one has 2 hydrogen bond donor(s) and 2 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-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one?
The CAS number of 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one is 71965-08-7.
What is the molecular formula of 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one?
The molecular formula of 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one is C9H6Cl3N3O.
What is the molecular weight of 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one?
The molecular weight of 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one is 276.96 g/mol.
Where can I buy 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one?
You can request a quote for 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1,2-dihydro-1-(2,4,6-trichlorophenyl)-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.