TL;DR: 2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl Disulfide (CAS 1356841-73-0) is a chemical compound with molecular formula C34H47F4N9O7S3 and molecular weight 865.26965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[[2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoic acid
Also Known As: 2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl Disulfide, 2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6-biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl Disulfide, 3-[2-[[2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]ethyldisulfanyl]propanoic acid
| Molecular Formula | C34H47F4N9O7S3 |
| Molecular Weight | 865.26965 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 285.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 27 |
| Exact Mass | 865.26965 Da |
| Heavy Atoms | 57 |
| Complexity | 1390.0 |
| SMILES | C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCCCCC(C(=O)NCCSSCCC(=O)O)NC(=O)C3=C(C(=C(C(=C3F)F)N=[N+]=[N-])F)F)NC(=O)N2 |
| InChIKey | XZNRURXPARSEIP-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl Disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 285.0 Ų indicates high polarity, suggesting 2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl Disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl Disulfide has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl Disulfide is 1356841-73-0.
The molecular formula of 2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl Disulfide is C34H47F4N9O7S3.
The molecular weight of 2-[N2-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-N6-(6 -biotinamidocaproyl)-L-lysinyl]ethyl 2-Carboxyethyl Disulfide is 865.26965 g/mol.
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