TL;DR: Coe bond (CAS 141582-43-6) is a chemical compound with molecular formula C65H98N4O20 and molecular weight 1254.6775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[6-[1-[4-[2-[4-[2-[6-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]hexylcarbamoyloxy]propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yloxycarbonylamino]hexylcarbamoyloxy]propyl 2-methylprop-2-enoate
Also Known As: Coe bond, 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate; 2-[6-[1-[4-[2-[4-[2-[6-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]hexylcarbamoyloxy]propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yloxycarbonylamino]hexylcarbamoyloxy]propyl 2-methylprop-2-enoate, 2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[6-[1-[4-[2-[4-[2-[6-[1-(2-methylprop-2-enoyloxy)propan-2-yloxycarbonylamino]hexylcarbamoyloxy]propoxy]phenyl]propan-2-yl]phenoxy]propan-2-yloxycarbonylamino]hexylcarbamoyloxy]propyl 2-methylprop-2-enoate
| Molecular Formula | C65H98N4O20 |
| Molecular Weight | 1254.6775 g/mol |
| XLogP | 9.8465 |
| Topological Polar Surface Area (TPSA) | 295.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 51 |
| Exact Mass | 1254.6775 Da |
| Heavy Atoms | 89 |
| Complexity | 1780.0 |
| SMILES | CC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(C)OC(=O)NCCCCCCNC(=O)OC(C)COC(=O)C(=C)C)OC(=O)NCCCCCCNC(=O)OC(C)COC(=O)C(=C)C.CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C |
| InChIKey | DYQTXXWUIJCBKK-UHFFFAOYSA-N |
The XLogP value of 9.8465 indicates that Coe bond is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 295.0 Ų indicates high polarity, suggesting Coe bond may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Coe bond has 4 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Coe bond is 141582-43-6.
The molecular formula of Coe bond is C65H98N4O20.
The molecular weight of Coe bond is 1254.6775 g/mol.
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