TL;DR: 4-(3,4-Dichlorophenyl)semicarbazide hydrochloride (CAS 124700-13-6) is a chemical compound with molecular formula C7H8Cl3N3O and molecular weight 254.9733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-3-(3,4-dichlorophenyl)urea;hydrochloride
Also Known As: 4-(3,4-Dichlorophenyl)semicarbazide hydrochloride, 1-amino-3-(3,4-dichlorophenyl)urea hydrochloride, 3-amino-1-(3,4-dichlorophenyl)urea Hydrochloride, N-(3,4-Dichlorophenyl)hydrazinecarboxamide hydrochloride
| Molecular Formula | C7H8Cl3N3O |
| Molecular Weight | 254.9733 g/mol |
| XLogP | 2.4104 |
| Topological Polar Surface Area (TPSA) | 67.2 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.9733 Da |
| Heavy Atoms | 14 |
| Complexity | 191.0 |
| SMILES | C1=CC(=C(C=C1NC(=O)NN)Cl)Cl.Cl |
| InChIKey | WBUIWNCRDCUIHZ-UHFFFAOYSA-N |
The XLogP value of 2.4104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dichlorophenyl)semicarbazide hydrochloride. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dichlorophenyl)semicarbazide hydrochloride. Following Lipinski's Rule of Five, 4-(3,4-Dichlorophenyl)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-(3,4-Dichlorophenyl)semicarbazide hydrochloride is 124700-13-6.
The molecular formula of 4-(3,4-Dichlorophenyl)semicarbazide hydrochloride is C7H8Cl3N3O.
The molecular weight of 4-(3,4-Dichlorophenyl)semicarbazide hydrochloride is 254.9733 g/mol.
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