TL;DR: 1-(2-Clet)-3-(M-meoph)-1-N=O urea (CAS 16326-27-5) is a chemical compound with molecular formula C10H12ClN3O3 and molecular weight 257.05673 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-chloroethyl)-3-(3-methoxyphenyl)-1-nitrosourea
Also Known As: 1-(2-chloroethyl)-3-(3-methoxyphenyl)-1-nitrosourea, KST-1B0831, 1-(2-CLET)-3-(M-MEOPH)-1-N=O UREA, J1.575.240H, Urea, 1-(2-chloroethyl)-3-(m-methoxyphenyl)-1-nitroso-
| Molecular Formula | C10H12ClN3O3 |
| Molecular Weight | 257.05673 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.05673 Da |
| Heavy Atoms | 17 |
| Complexity | 265.0 |
| SMILES | COC1=CC=CC(=C1)NC(=O)N(CCCl)N=O |
| InChIKey | IIGODIQYZQJBAG-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Clet)-3-(M-meoph)-1-N=O urea. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Clet)-3-(M-meoph)-1-N=O urea. Following Lipinski's Rule of Five, 1-(2-Clet)-3-(M-meoph)-1-N=O urea has 1 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 1-(2-Clet)-3-(M-meoph)-1-N=O urea is 16326-27-5.
The molecular formula of 1-(2-Clet)-3-(M-meoph)-1-N=O urea is C10H12ClN3O3.
The molecular weight of 1-(2-Clet)-3-(M-meoph)-1-N=O urea is 257.05673 g/mol.
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