TL;DR: Semicarbazide, 1-(p-chlorobenzoyl)-4,4-dimethyl- (CAS 74037-21-1) is a chemical compound with molecular formula C10H12ClN3O2 and molecular weight 241.0618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-chlorobenzoyl)amino]-1,1-dimethylurea
Also Known As: Semicarbazide,4-dimethyl-, Semicarbazide, 1-(p-chlorobenzoyl)-4,4-dimethyl-, 3-[(4-chlorobenzoyl)amino]-1,1-dimethylurea, 1-(4-Chlorobenzoyl)-4,4-dimethylsemicarbazide, 2-(4-chlorobenzoyl)-n,n-dimethylhydrazinecarboxamide
| Molecular Formula | C10H12ClN3O2 |
| Molecular Weight | 241.0618 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 241.0618 Da |
| Heavy Atoms | 16 |
| Complexity | 263.0 |
| SMILES | CN(C)C(=O)NNC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | MONKNOAQWHHQSG-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Semicarbazide, 1-(p-chlorobenzoyl)-4,4-dimethyl-. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Semicarbazide, 1-(p-chlorobenzoyl)-4,4-dimethyl-. Following Lipinski's Rule of Five, Semicarbazide, 1-(p-chlorobenzoyl)-4,4-dimethyl- 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 Semicarbazide, 1-(p-chlorobenzoyl)-4,4-dimethyl- is 74037-21-1.
The molecular formula of Semicarbazide, 1-(p-chlorobenzoyl)-4,4-dimethyl- is C10H12ClN3O2.
The molecular weight of Semicarbazide, 1-(p-chlorobenzoyl)-4,4-dimethyl- is 241.0618 g/mol.
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