TL;DR: 4-(2-Chlorophenyl)semicarbazide hydrochloride (CAS 153513-57-6) is a chemical compound with molecular formula C7H9Cl2N3O and molecular weight 221.01227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3-(2-chlorophenyl)urea;hydrochloride
Also Known As: 4-(2-CHLOROPHENYL)SEMICARBAZIDE HYDROCHLORIDE, 1-amino-3-(2-chlorophenyl)urea;hydrochloride, 1-amino-3-(2-chlorophenyl)urea hydrochloride, 3-amino-1-(2-chlorophenyl)urea Hydrochloride, 4-(2-chlorophenyl)-semicarbazide hydrochloride
| Molecular Formula | C7H9Cl2N3O |
| Molecular Weight | 221.01227 g/mol |
| XLogP | 1.757 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.01227 Da |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
| SMILES | C1=CC=C(C(=C1)NC(=O)NN)Cl.Cl |
| InChIKey | AALFMYTZFRNGFG-UHFFFAOYSA-N |
The XLogP value of 1.757 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Chlorophenyl)semicarbazide hydrochloride. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Chlorophenyl)semicarbazide hydrochloride. Following Lipinski's Rule of Five, 4-(2-Chlorophenyl)semicarbazide hydrochloride has 4 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 4-(2-Chlorophenyl)semicarbazide hydrochloride is 153513-57-6.
The molecular formula of 4-(2-Chlorophenyl)semicarbazide hydrochloride is C7H9Cl2N3O.
The molecular weight of 4-(2-Chlorophenyl)semicarbazide hydrochloride is 221.01227 g/mol.
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