TL;DR: 2-[(2,6-Dichlorophenyl)methylideneamino]guanidine (CAS 5051-62-7) is a chemical compound with molecular formula C8H8Cl2N4 and molecular weight 230.0126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,6-dichlorophenyl)methylideneamino]guanidine
Also Known As: guanabenz, Extraneal, Spectrum2_001114, Spectrum3_000445, Spectrum4_000567
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H8Cl2N4 |
| Molecular Weight | 230.0126 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 76.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.0126 Da |
| Heavy Atoms | 14 |
| Complexity | 227.0 |
| Melting Point | 228 °C |
| Solubility | 8.89e-02 g/L |
| SMILES | C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl |
| InChIKey | WDZVGELJXXEGPV-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,6-Dichlorophenyl)methylideneamino]guanidine. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,6-Dichlorophenyl)methylideneamino]guanidine. Following Lipinski's Rule of Five, 2-[(2,6-Dichlorophenyl)methylideneamino]guanidine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(2,6-Dichlorophenyl)methylideneamino]guanidine is 5051-62-7.
The molecular formula of 2-[(2,6-Dichlorophenyl)methylideneamino]guanidine is C8H8Cl2N4.
The molecular weight of 2-[(2,6-Dichlorophenyl)methylideneamino]guanidine is 230.0126 g/mol.
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