5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one
TL;DR: 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one (CAS 27241-31-2) 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.
5-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one
Also Known As: 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one, AI3-52586, 5-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one, 3-Amino-1-(2,4,6-trichlorophenyl)-5-pyrazolone, A-2527
| Molecular Formula | C9H6Cl3N3O |
|---|---|
| Molecular Weight | 276.96 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.95764 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 27241-31-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N2C(=O)C=C(N2)N)Cl)Cl |
| InChIKey | XZRWLJLWXBCCLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one (CAS 27241-31-2), with molecular formula C9H6Cl3N3O and molecular weight 276.96 g/mol. IUPAC: 5-amino-2-(2,4,6-trichlorophenyl)-1H-pyrazol-3-one.
Chemical Property Profile of 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one
Property Insights of 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one. With a topological polar surface area (TPSA) of 58.4 Ų, 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one has 2 hydrogen bond donor(s) and 3 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-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one?
The CAS number of 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one is 27241-31-2.
What is the molecular formula of 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one?
The molecular formula of 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one is C9H6Cl3N3O.
What is the molecular weight of 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one?
The molecular weight of 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one is 276.96 g/mol.
Where can I buy 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one?
You can request a quote for 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-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-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-(2,4,6-trichloro-phenyl)-1,2-dihydro-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.