TL;DR: (S)-N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamine (CAS 153117-10-3) is a chemical compound with molecular formula C14H22N2O3 and molecular weight 266.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-butyl-N-[(2S)-3-hydroxy-2-phenylmethoxypropyl]nitrous amide
Also Known As: (S)-N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamine, N-butyl-N-[(2S)-3-hydroxy-2-phenylmethoxypropyl]nitrous amide, N-[2-(Benzyloxy)-3-hydroxypropyl]-N-butylnitrous amide, 1-Propanol, 3-(butylnitrosoamino)-2-(phenylmethoxy)-, (S)-, N-[(2S)-2-(Benzyloxy)-3-hydroxypropyl]-N-butylnitrous amide
| Molecular Formula | C14H22N2O3 |
| Molecular Weight | 266.16306 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 266.16306 Da |
| Heavy Atoms | 19 |
| Complexity | 233.0 |
| SMILES | CCCCN(C[C@@H](CO)OCC1=CC=CC=C1)N=O |
| InChIKey | XYWVCWLMHPTNBV-AWEZNQCLSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamine. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamine. Following Lipinski's Rule of Five, (S)-N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamine has 1 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 (S)-N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamine is 153117-10-3.
The molecular formula of (S)-N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamine is C14H22N2O3.
The molecular weight of (S)-N-Nitroso-N-(2-benzyloxy-3-hydroxypropyl)butylamine is 266.16306 g/mol.
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