TL;DR: Urea, 1-(2-chloroethyl)-3-(1H-tetrazol-5-yl)- (CAS 102433-71-6) is a chemical compound with molecular formula C4H7ClN6O and molecular weight 190.03699 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(2H-tetrazol-5-yl)urea
Also Known As: 1-(2-Chloroethyl)-3-(1H-tetrazol-5-yl)urea, 3-(2-Chloroethyl)-1-(1H-tetrazol-5-yl)urea, Urea, 1-(2-chloroethyl)-3-(1H-tetrazol-5-yl)-, 1-(2-chloroethyl)-3-(2H-tetrazol-5-yl)urea, Urea,N-(2-chloroethyl)-N'-2H-tetrazol-5-yl-
| Molecular Formula | C4H7ClN6O |
| Molecular Weight | 190.03699 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 95.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.03699 Da |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
| SMILES | C(CCl)NC(=O)NC1=NNN=N1 |
| InChIKey | ZSZMIWBEVPLYTC-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that Urea, 1-(2-chloroethyl)-3-(1H-tetrazol-5-yl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-(2-chloroethyl)-3-(1H-tetrazol-5-yl)-. Following Lipinski's Rule of Five, Urea, 1-(2-chloroethyl)-3-(1H-tetrazol-5-yl)- has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Urea, 1-(2-chloroethyl)-3-(1H-tetrazol-5-yl)- is 102433-71-6.
The molecular formula of Urea, 1-(2-chloroethyl)-3-(1H-tetrazol-5-yl)- is C4H7ClN6O.
The molecular weight of Urea, 1-(2-chloroethyl)-3-(1H-tetrazol-5-yl)- is 190.03699 g/mol.
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