TL;DR: (R)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid (CAS 154902-51-9) is a chemical compound with molecular formula C16H19NO4S and molecular weight 321.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-(1-benzothiophen-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Boc-D-3-Benzothienylalanine, Boc-3-(3-benzothienyl)-D-alanine, Boc-D-Bta-OH, (R)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid, Boc-D-3-Benzothienylala
| Molecular Formula | C16H19NO4S |
| Molecular Weight | 321.1035 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.1035 Da |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CC1=CSC2=CC=CC=C21)C(=O)O |
| InChIKey | MURVSBJYXHTRJQ-GFCCVEGCSA-N |
The XLogP value of 3.5 indicates that (R)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid. Following Lipinski's Rule of Five, (R)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid 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 (R)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid is 154902-51-9.
The molecular formula of (R)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid is C16H19NO4S.
The molecular weight of (R)-3-(Benzo[b]thiophen-3-yl)-2-((tert-butoxycarbonyl)amino)propanoic acid is 321.1035 g/mol.
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