4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one
TL;DR: 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one (CAS 21456-75-7) is a chemical compound with molecular formula C14H14BrN3O and molecular weight 319.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one
Also Known As: BIM-0003069.P001, 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one, 4-bromo-2-phenyl-5-(1-pyrrolidinyl)-3(2H)-pyridazinone, 4-bromo-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one, 4-Bromo-2-phenyl-5-pyrrolidin-1-yl-2H-pyridazin-3-one
| Molecular Formula | C14H14BrN3O |
|---|---|
| Molecular Weight | 319.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.032 |
| Heavy Atoms | 19 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 21456-75-7 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br |
| InChIKey | XFJJNOCAWMYKKE-UHFFFAOYSA-N |
Product Overview
4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one (CAS 21456-75-7), with molecular formula C14H14BrN3O and molecular weight 319.03 g/mol. IUPAC: 4-bromo-2-phenyl-5-pyrrolidin-1-ylpyridazin-3-one.
Chemical Property Profile of 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one
Property Insights of 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one. With a topological polar surface area (TPSA) of 35.9 Ų, 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one has 0 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 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one?
The CAS number of 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one is 21456-75-7.
What is the molecular formula of 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one?
The molecular formula of 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one is C14H14BrN3O.
What is the molecular weight of 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one?
The molecular weight of 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one is 319.03 g/mol.
Where can I buy 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one?
You can request a quote for 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-2-phenyl-5-(pyrrolidin-1-yl)pyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.