TL;DR: 1,3-Benzenediamine, 2,4-dichloro-6-methyl- (CAS 50694-81-0) is a chemical compound with molecular formula C7H8Cl2N2 and molecular weight 190.00645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-6-methylbenzene-1,3-diamine
Also Known As: 3,5-Dichloro-2,4-toluenediamine, 2,4-dichloro-6-methylbenzene-1,3-diamine, 1,3-Benzenediamine, 2,4-dichloro-6-methyl-, 2,4-Dichloro-6-methyl-1,3-benzenediamine, 2,4-dichloro-6-methyl-benzene-1,3-diamine
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C7H8Cl2N2 |
| Molecular Weight | 190.00645 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.00645 Da |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| SMILES | CC1=CC(=C(C(=C1N)Cl)N)Cl |
| InChIKey | MGLBJEAIHLGMRL-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediamine, 2,4-dichloro-6-methyl-. With a topological polar surface area (TPSA) of 52.0 Ų, 1,3-Benzenediamine, 2,4-dichloro-6-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzenediamine, 2,4-dichloro-6-methyl- 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 1,3-Benzenediamine, 2,4-dichloro-6-methyl- is 50694-81-0.
The molecular formula of 1,3-Benzenediamine, 2,4-dichloro-6-methyl- is C7H8Cl2N2.
The molecular weight of 1,3-Benzenediamine, 2,4-dichloro-6-methyl- is 190.00645 g/mol.
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