TL;DR: Urea, 1-isopropyl-1-nitroso- (CAS 16830-14-1) is a chemical compound with molecular formula C4H9N3O2 and molecular weight 131.06947 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-nitroso-1-propan-2-ylurea
Also Known As: Nitrosoisopropylurea, 1-Isopropyl-1-nitrosourea, 1-nitroso-1-propan-2-ylurea, Urea, 1-isopropyl-1-nitroso-, nitroso-i-propylurea
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H9N3O2 |
| Molecular Weight | 131.06947 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.06947 Da |
| Heavy Atoms | 9 |
| Complexity | 123.0 |
| SMILES | CC(C)N(C(=O)N)N=O |
| InChIKey | VMQQMNLJMLELNP-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, 1-isopropyl-1-nitroso-. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, 1-isopropyl-1-nitroso-. Following Lipinski's Rule of Five, Urea, 1-isopropyl-1-nitroso- has 1 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 Urea, 1-isopropyl-1-nitroso- is 16830-14-1.
The molecular formula of Urea, 1-isopropyl-1-nitroso- is C4H9N3O2.
The molecular weight of Urea, 1-isopropyl-1-nitroso- is 131.06947 g/mol.
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