Ici 109,081
TL;DR: Ici 109,081 (CAS 41375-66-0) is a chemical compound with molecular formula C11H13N3O and molecular weight 203.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one
Also Known As: 6-(4-aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2h)-one, 6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone, Levosimendan Impurity 3, Levosimendan Impurity 5, Levosimendan Impurity 18
| Molecular Formula | C11H13N3O |
|---|---|
| Molecular Weight | 203.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.10587 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 41375-66-0 |
|---|---|
| SMILES | CC1CC(=O)NN=C1C2=CC=C(C=C2)N |
| InChIKey | GDMRFHZLKNYRRO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ici 109,081 (CAS 41375-66-0), with molecular formula C11H13N3O and molecular weight 203.11 g/mol. IUPAC: 3-(4-aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
Chemical Property Profile of Ici 109,081
Property Insights of Ici 109,081
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ici 109,081. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ici 109,081. Following Lipinski's Rule of Five, Ici 109,081 has 2 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 Ici 109,081?
The CAS number of Ici 109,081 is 41375-66-0.
What is the molecular formula of Ici 109,081?
The molecular formula of Ici 109,081 is C11H13N3O.
What is the molecular weight of Ici 109,081?
The molecular weight of Ici 109,081 is 203.11 g/mol.
Where can I buy Ici 109,081?
You can request a quote for Ici 109,081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ici 109,081?
Yes, KEHONG BIO provides custom synthesis services for Ici 109,081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.