TL;DR: N2-t-Boc-N6-(biotinamido-6-N-caproylamido)lysine (CAS 102910-26-9) is a chemical compound with molecular formula C27H47N5O7S and molecular weight 585.31964 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoic acid
Also Known As: N2-t-Boc-N6-(biotinamido-6-N-caproylamido)lysine, 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoic acid
| Molecular Formula | C27H47N5O7S |
| Molecular Weight | 585.31964 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 200.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 585.31964 Da |
| Heavy Atoms | 40 |
| Complexity | 867.0 |
| SMILES | CC(C)(C)OC(=O)NC(CCCCNC(=O)CCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C(=O)O |
| InChIKey | LPJWUKCJHUOTJU-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N2-t-Boc-N6-(biotinamido-6-N-caproylamido)lysine. The TPSA of 200.0 Ų indicates high polarity, suggesting N2-t-Boc-N6-(biotinamido-6-N-caproylamido)lysine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N2-t-Boc-N6-(biotinamido-6-N-caproylamido)lysine has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N2-t-Boc-N6-(biotinamido-6-N-caproylamido)lysine is 102910-26-9.
The molecular formula of N2-t-Boc-N6-(biotinamido-6-N-caproylamido)lysine is C27H47N5O7S.
The molecular weight of N2-t-Boc-N6-(biotinamido-6-N-caproylamido)lysine is 585.31964 g/mol.
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