TL;DR: Boc-Lys(biotinyl)-OH (CAS 1272755-71-1) is a chemical compound with molecular formula C21H36N4O6S and molecular weight 472.23557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoic acid
Also Known As: Boc-Biocytin, N-t-Boc-biocytin, Boc-Lys(biotinyl)-OH, A-Boc-Biocytin, VINYLOLEATE
| Molecular Formula | C21H36N4O6S |
| Molecular Weight | 472.23557 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 472.23557 Da |
| Heavy Atoms | 32 |
| Complexity | 684.0 |
| SMILES | CC(C)(C)OC(=O)NC(CCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C(=O)O |
| InChIKey | XTQNFOCBPUXJCS-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-Lys(biotinyl)-OH. The TPSA of 171.0 Ų indicates high polarity, suggesting Boc-Lys(biotinyl)-OH may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-Lys(biotinyl)-OH has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Boc-Lys(biotinyl)-OH is 1272755-71-1.
The molecular formula of Boc-Lys(biotinyl)-OH is C21H36N4O6S.
The molecular weight of Boc-Lys(biotinyl)-OH is 472.23557 g/mol.
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