5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone
TL;DR: 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone (CAS 478049-06-8) is a chemical compound with molecular formula C17H13BrFN3O and molecular weight 373.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(benzylamino)-4-bromo-2-(4-fluorophenyl)pyridazin-3-one
Also Known As: Bionet1_004053, DivK1c_002549, 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone, CDS1_001509, 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)pyridazin-3-one
| Molecular Formula | C17H13BrFN3O |
|---|---|
| Molecular Weight | 373.02 g/mol |
| LogP | 3.7462 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.0226 |
| Heavy Atoms | 23 |
| Complexity | 863.257 |
Chemical Identifiers
| CAS Number | 478049-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C(=O)N(N=C2)C3=CC=C(C=C3)F)Br |
Product Overview
5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone (CAS 478049-06-8), with molecular formula C17H13BrFN3O and molecular weight 373.02 g/mol. IUPAC: 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)pyridazin-3-one.
Chemical Property Profile of 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone
Property Insights of 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone
The XLogP value of 3.7462 indicates that 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone has 1 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-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone?
The CAS number of 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone is 478049-06-8.
What is the molecular formula of 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone?
The molecular formula of 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone is C17H13BrFN3O.
What is the molecular weight of 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone?
The molecular weight of 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone is 373.02 g/mol.
Where can I buy 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone?
You can request a quote for 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylamino)-4-bromo-2-(4-fluorophenyl)-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.