5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone
TL;DR: 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone (CAS 478049-16-0) is a chemical compound with molecular formula C13H11ClFN3O and molecular weight 279.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(4-fluorophenyl)-5-(prop-2-enylamino)pyridazin-3-one
Also Known As: 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone, 5M-539S, 4-chloro-2-(4-fluorophenyl)-5-[(prop-2-en-1-yl)amino]-2,3-dihydropyridazin-3-one, 4-chloro-2-(4-fluorophenyl)-5-(prop-2-enylamino)pyridazin-3-one, 5-(Allylamino)-4-chloro-2-(4-fluorophenyl)pyridazin-3(2H)-one
| Molecular Formula | C13H11ClFN3O |
|---|---|
| Molecular Weight | 279.06 g/mol |
| LogP | 2.6229 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.05746 |
| Heavy Atoms | 19 |
| Complexity | 651.92816 |
Chemical Identifiers
| CAS Number | 478049-16-0 |
|---|---|
| SMILES | C=CCNC1=C(C(=O)N(N=C1)C2=CC=C(C=C2)F)Cl |
Product Overview
5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone (CAS 478049-16-0), with molecular formula C13H11ClFN3O and molecular weight 279.06 g/mol. IUPAC: 4-chloro-2-(4-fluorophenyl)-5-(prop-2-enylamino)pyridazin-3-one.
Chemical Property Profile of 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone
Property Insights of 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone
The XLogP value of 2.6229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone. With a topological polar surface area (TPSA) of 46.92 Ų, 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(allylamino)-4-chloro-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-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone?
The CAS number of 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone is 478049-16-0.
What is the molecular formula of 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone?
The molecular formula of 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone is C13H11ClFN3O.
What is the molecular weight of 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone?
The molecular weight of 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone is 279.06 g/mol.
Where can I buy 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone?
You can request a quote for 5-(allylamino)-4-chloro-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-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(allylamino)-4-chloro-2-(4-fluorophenyl)-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.