TL;DR: 2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol (CAS 115084-48-5) is a chemical compound with molecular formula C13H12Cl2N2O and molecular weight 282.03265 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-5-[(4-amino-3-chlorophenyl)methyl]-3-chlorophenol
Also Known As: 2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol, 2-amino-5-[(4-amino-3-chlorophenyl)methyl]-3-chlorophenol, PHENOL, 2-AMINO-5-((4-AMINO-3-CHLOROPHENYL)METHYL)-3-CHLORO-, 2-amino-5-[(4-amino-3-chlorophenyl)methyl]-3-chloro-phenol, CCRIS 4003
| Molecular Formula | C13H12Cl2N2O |
| Molecular Weight | 282.03265 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 72.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 282.03265 Da |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
| SMILES | C1=CC(=C(C=C1CC2=CC(=C(C(=C2)Cl)N)O)Cl)N |
| InChIKey | NAFQRMMXAUBUQJ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol. Following Lipinski's Rule of Five, 2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol is 115084-48-5.
The molecular formula of 2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol is C13H12Cl2N2O.
The molecular weight of 2-Amino-5-((4-amino-3-chlorophenyl)methyl)-3-chlorophenol is 282.03265 g/mol.
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