TL;DR: Biotinylamidoethyl-3-(4-hydroxy-3-iodo-phenyl)propionamide alpha-sulfoxide (CAS 129244-73-1) is a chemical compound with molecular formula C21H29IN4O5S and molecular weight 574.0905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodophenyl)propanoylamino]ethyl]pentanamide
Also Known As: Baehppas, Baehpps, Biotinylamidoethyl-3-(4-hydroxy-3-iodophenyl)propionamide beta-sulfoxide, Biotinylamidoethyl-3-(4-hydroxy-3-iodo-phenyl)propionamide alpha-sulfoxide, 5-[(3aS,4S,6aR)-2,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[3-(4-hydroxy-3-(125I)iodanylphenyl)propanoylamino]ethyl]pentanamide
| Molecular Formula | C21H29IN4O5S |
| Molecular Weight | 574.0905 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 574.0905 Da |
| Heavy Atoms | 32 |
| Complexity | 712.0 |
| SMILES | C1[C@H]2[C@@H]([C@@H](S1=O)CCCCC(=O)NCCNC(=O)CCC3=CC(=C(C=C3)O)[125I])NC(=O)N2 |
| InChIKey | MCAUSUVACKMLDN-PLXYZFCOSA-N |
The XLogP value of -0.1 indicates that Biotinylamidoethyl-3-(4-hydroxy-3-iodo-phenyl)propionamide alpha-sulfoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Biotinylamidoethyl-3-(4-hydroxy-3-iodo-phenyl)propionamide alpha-sulfoxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Biotinylamidoethyl-3-(4-hydroxy-3-iodo-phenyl)propionamide alpha-sulfoxide has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Biotinylamidoethyl-3-(4-hydroxy-3-iodo-phenyl)propionamide alpha-sulfoxide is 129244-73-1.
The molecular formula of Biotinylamidoethyl-3-(4-hydroxy-3-iodo-phenyl)propionamide alpha-sulfoxide is C21H29IN4O5S.
The molecular weight of Biotinylamidoethyl-3-(4-hydroxy-3-iodo-phenyl)propionamide alpha-sulfoxide is 574.0905 g/mol.
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