TL;DR: RefChem:216297 (CAS 118269-73-1) is a chemical compound with molecular formula C13H18Cl2N4 and molecular weight 300.09085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(4-methyl-6-phenylpyridazin-3-yl)ethane-1,2-diamine;dihydrochloride
Also Known As: CM 30099, C13H16N4.2ClH.1/2H2O, C13-H16-N4.2Cl-H.1/2H2-O, 1,2-Ethanediamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, dihydrochloride, hemihydrate, 3-((Aminoethyl)amino)-4-methyl-6-phenylpyridazine dihydrochloride hemihydrate
| Molecular Formula | C13H18Cl2N4 |
| Molecular Weight | 300.09085 g/mol |
| XLogP | 2.66622 |
| Topological Polar Surface Area (TPSA) | 63.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.09085 Da |
| Heavy Atoms | 19 |
| Complexity | 215.0 |
| SMILES | CC1=CC(=NN=C1NCCN)C2=CC=CC=C2.Cl.Cl |
| InChIKey | CTKLICXVGAUHHC-UHFFFAOYSA-N |
The XLogP value of 2.66622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:216297. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:216297. Following Lipinski's Rule of Five, RefChem:216297 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:216297 is 118269-73-1.
The molecular formula of RefChem:216297 is C13H18Cl2N4.
The molecular weight of RefChem:216297 is 300.09085 g/mol.
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