TL;DR: 2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-2-methyl- (CAS 10154-63-9) is a chemical compound with molecular formula C7H6Cl2N2 and molecular weight 187.9908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-N,4-N-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine
Also Known As: N,N'-Dichloro-2-methyl-2,5-cyclohexadiene-1,4-diimine, 2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-2-methyl-, 1-07-00-00352 (Beilstein Handbook Reference), n,n'-dichloro-2-methylcyclohexa-2,5-diene-1,4-diimine, N1,N4-dichloro-2-methyl-cyclohexa-2,5-diene-1,4-diimine
| Molecular Formula | C7H6Cl2N2 |
| Molecular Weight | 187.9908 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.9908 Da |
| Heavy Atoms | 11 |
| Complexity | 274.0 |
| SMILES | CC\1=C/C(=N/Cl)/C=C/C1=N\Cl |
| InChIKey | KLPNKFWJFUJVNH-JMQWPVDRSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-2-methyl-. With a topological polar surface area (TPSA) of 24.7 Ų, 2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-2-methyl- has 0 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 2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-2-methyl- is 10154-63-9.
The molecular formula of 2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-2-methyl- is C7H6Cl2N2.
The molecular weight of 2,5-Cyclohexadiene-1,4-diimine, N,N'-dichloro-2-methyl- is 187.9908 g/mol.
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