TL;DR: 1-(Saligenin cyclic phospho)-9-biotinyldiaminononane (CAS 158042-17-2) is a chemical compound with molecular formula C26H41N4O5PS and molecular weight 552.25354 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[9-[(2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-yl)amino]nonyl]pentanamide
Also Known As: Cid 133040, 1-(Saligenin cyclic phospho)-9-biotinyldiaminononane, SID:135653562, 3,5-bis(4-chlorophenyl)-1,2,4-oxadiazole, O1-(DIMETHOXYTRITYL)TETRAETHYLENE GLYCOL
| Molecular Formula | C26H41N4O5PS |
| Molecular Weight | 552.25354 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 16 |
| Exact Mass | 552.25354 Da |
| Heavy Atoms | 37 |
| Complexity | 790.0 |
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCCCCNP3(=O)OCC4=CC=CC=C4O3)NC(=O)N2 |
| InChIKey | JZSQBHPKLLZQAH-NYWSWALVSA-N |
The XLogP value of 3.5 indicates that 1-(Saligenin cyclic phospho)-9-biotinyldiaminononane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting 1-(Saligenin cyclic phospho)-9-biotinyldiaminononane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(Saligenin cyclic phospho)-9-biotinyldiaminononane has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(Saligenin cyclic phospho)-9-biotinyldiaminononane is 158042-17-2.
The molecular formula of 1-(Saligenin cyclic phospho)-9-biotinyldiaminononane is C26H41N4O5PS.
The molecular weight of 1-(Saligenin cyclic phospho)-9-biotinyldiaminononane is 552.25354 g/mol.
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