5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone
TL;DR: 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone (CAS 452345-05-0) is a chemical compound with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-phenyl-5-(prop-2-enylamino)pyridazin-3-one
Also Known As: BAS 05162784, 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone, 4-chloro-2-phenyl-5-(prop-2-enylamino)pyridazin-3-one, 5-Allylamino-4-chloro-2-phenyl-2H-pyridazin-3-one, AP-263/14045387
| Molecular Formula | C13H12ClN3O |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 2.4838 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.0669 |
| Heavy Atoms | 18 |
| Complexity | 607.3786 |
Chemical Identifiers
| CAS Number | 452345-05-0 |
|---|---|
| SMILES | C=CCNC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl |
Product Overview
5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone (CAS 452345-05-0), with molecular formula C13H12ClN3O and molecular weight 261.07 g/mol. IUPAC: 4-chloro-2-phenyl-5-(prop-2-enylamino)pyridazin-3-one.
Chemical Property Profile of 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone
Property Insights of 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone
The XLogP value of 2.4838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone. With a topological polar surface area (TPSA) of 46.92 Ų, 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(allylamino)-4-chloro-2-phenyl-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-phenyl-3(2H)-pyridazinone?
The CAS number of 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone is 452345-05-0.
What is the molecular formula of 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone?
The molecular formula of 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone is C13H12ClN3O.
What is the molecular weight of 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone?
The molecular weight of 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone is 261.07 g/mol.
Where can I buy 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone?
You can request a quote for 5-(allylamino)-4-chloro-2-phenyl-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-phenyl-3(2H)-pyridazinone?
Yes, KEHONG BIO provides custom synthesis services for 5-(allylamino)-4-chloro-2-phenyl-3(2H)-pyridazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.