TL;DR: [2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate (CAS 1005157-19-6) is a chemical compound with molecular formula C15H20N2O5S and molecular weight 340.10928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate
Also Known As: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate|SR-01000866516-2|SR-01000866516-3|[2-[(2,3-dimethylcyclohexyl)amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate|2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl 5-nitrothiophene-2-carboxylate|5-nitro-2-thiophenecarboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] ester|5-nitrothiophene-2-carboxylic acid [2-[(2,3-dimethylcyclohexyl)amino]-2-keto-ethyl] ester|MLS002245146|SMR001308808|SR-01000866516|CHEMBL1591913|cid_3977768|Z19502219
| Molecular Formula | C15H20N2O5S |
| Molecular Weight | 340.10928 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.10928 Da |
| Heavy Atoms | 23 |
| Complexity | 467.0 |
| SMILES | CC1CCCC(C1C)NC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-] |
| InChIKey | WBFVHGCBIJYBMI-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that [2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate. Following Lipinski's Rule of Five, [2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate is 1005157-19-6.
The molecular formula of [2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate is C15H20N2O5S.
The molecular weight of [2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate is 340.10928 g/mol.
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