TL;DR: Acetic acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-2-cyclohexyl- (CAS 66827-37-0) is a chemical compound with molecular formula C11H18ClN3O4 and molecular weight 291.09857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-cyclohexylacetic acid
Also Known As: ACETIC ACID, 2-(3-(2-CHLOROETHYL)-3-NITROSOUREIDO)-2-CYCLOHEXYL-, 2-[3- -3-nitrosoureido]-2-cyclohexylaceticacid, 2-(3-(2-Chloroethyl)-3-nitrosoureido)-2-cyclohexylacetic acid, 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-2-cyclohexylacetic acid, Cyclohexaneacetic acid, .alpha.-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-
| Molecular Formula | C11H18ClN3O4 |
| Molecular Weight | 291.09857 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.09857 Da |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
| SMILES | C1CCC(CC1)C(C(=O)O)NC(=O)N(CCCl)N=O |
| InChIKey | MPCWIZAWGSZCIC-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Acetic acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-2-cyclohexyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-2-cyclohexyl-. Following Lipinski's Rule of Five, Acetic acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-2-cyclohexyl- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-2-cyclohexyl- is 66827-37-0.
The molecular formula of Acetic acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-2-cyclohexyl- is C11H18ClN3O4.
The molecular weight of Acetic acid, 2-(3-(2-chloroethyl)-3-nitrosoureido)-2-cyclohexyl- is 291.09857 g/mol.
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