4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one
TL;DR: 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one (CAS 313502-84-0) is a chemical compound with molecular formula C11H9N5O and molecular weight 227.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one
Also Known As: BAS 00853711, 4-amino-6-benzimidazol-2-yl-2-hydropyridazin-3-one, 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one, 4-Amino-6-(1H-benzoimidazol-2-yl)-2H-pyridazin-3-one, 4-amino-6-(1H-benzo[d]imidazol-2-yl)pyridazin-3(2H)-one
| Molecular Formula | C11H9N5O |
|---|---|
| Molecular Weight | 227.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.0807 |
| Heavy Atoms | 17 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 313502-84-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C3=NNC(=O)C(=C3)N |
| InChIKey | WKXGYUANKKYRFY-UHFFFAOYSA-N |
Product Overview
4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one (CAS 313502-84-0), with molecular formula C11H9N5O and molecular weight 227.08 g/mol. IUPAC: 5-amino-3-(1H-benzimidazol-2-yl)-1H-pyridazin-6-one.
Chemical Property Profile of 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one
Property Insights of 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one. Following Lipinski's Rule of Five, 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one has 3 hydrogen bond donor(s) and 4 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-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one?
The CAS number of 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one is 313502-84-0.
What is the molecular formula of 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one?
The molecular formula of 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one is C11H9N5O.
What is the molecular weight of 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one?
The molecular weight of 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one is 227.08 g/mol.
Where can I buy 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one?
You can request a quote for 4-amino-6-(1H-benzimidazol-2-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-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-amino-6-(1H-benzimidazol-2-yl)pyridazin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.