TL;DR: Sulfonium, (3-((4-(3-ethoxy-2-hydroxypropoxy)propyl)amino)-3-oxopropyl)dimethyl-, inner salt (CAS 127519-21-5) is a chemical compound with molecular formula C16H25NO4S and molecular weight 327.15042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(3-dimethylsulfoniopropanoylamino)phenoxy]-3-ethoxypropan-2-olate
Also Known As: Sulfonium, (3-((4-(3-ethoxy-2-hydroxypropoxy)propyl)amino)-3-oxopropyl)dimethyl-, inner salt, 1-[4-(3-dimethylsulfoniopropanoylamino)phenoxy]-3-ethoxy-propan-2-olate, 1-[4-(3-dimethylsulfoniopropanoylamino)phenoxy]-3-ethoxypropan-2-olate, 1-{4-[3-(Dimethylsulfaniumyl)propanamido]phenoxy}-3-ethoxypropan-2-olate
| Molecular Formula | C16H25NO4S |
| Molecular Weight | 327.15042 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 71.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 327.15042 Da |
| Heavy Atoms | 22 |
| Complexity | 307.0 |
| SMILES | CCOCC(COC1=CC=C(C=C1)NC(=O)CC[S+](C)C)[O-] |
| InChIKey | BCVAKLSETTYQGL-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfonium, (3-((4-(3-ethoxy-2-hydroxypropoxy)propyl)amino)-3-oxopropyl)dimethyl-, inner salt. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfonium, (3-((4-(3-ethoxy-2-hydroxypropoxy)propyl)amino)-3-oxopropyl)dimethyl-, inner salt. Following Lipinski's Rule of Five, Sulfonium, (3-((4-(3-ethoxy-2-hydroxypropoxy)propyl)amino)-3-oxopropyl)dimethyl-, inner salt 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 Sulfonium, (3-((4-(3-ethoxy-2-hydroxypropoxy)propyl)amino)-3-oxopropyl)dimethyl-, inner salt is 127519-21-5.
The molecular formula of Sulfonium, (3-((4-(3-ethoxy-2-hydroxypropoxy)propyl)amino)-3-oxopropyl)dimethyl-, inner salt is C16H25NO4S.
The molecular weight of Sulfonium, (3-((4-(3-ethoxy-2-hydroxypropoxy)propyl)amino)-3-oxopropyl)dimethyl-, inner salt is 327.15042 g/mol.
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