TL;DR: 2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}] Ethyl 2-Carboxyethyl Disulfide (CAS 1217773-33-5) is a chemical compound with molecular formula C40H58F4N10O8S3 and molecular weight 978.35376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[2-[[2-[6-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]hexanoylamino]-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-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}] Ethyl 2-Carboxyethyl Disulfide, 3-[2-[[2-[6-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]hexanoylamino]-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 | C40H58F4N10O8S3 |
| Molecular Weight | 978.35376 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 314.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 33 |
| Exact Mass | 978.35376 Da |
| Heavy Atoms | 65 |
| Complexity | 1600.0 |
| SMILES | C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NCCCCC(C(=O)NCCSSCCC(=O)O)NC(=O)CCCCCNC(=O)C3=C(C(=C(C(=C3F)F)N=[N+]=[N-])F)F)NC(=O)N2 |
| InChIKey | FJKANRXSLHOXFW-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}] Ethyl 2-Carboxyethyl Disulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 314.0 Ų indicates high polarity, suggesting 2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}] Ethyl 2-Carboxyethyl Disulfide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}] Ethyl 2-Carboxyethyl Disulfide has 8 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}] Ethyl 2-Carboxyethyl Disulfide is 1217773-33-5.
The molecular formula of 2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}] Ethyl 2-Carboxyethyl Disulfide is C40H58F4N10O8S3.
The molecular weight of 2-{N2-[N6-(4-Azido-2,3,5,6-tetrafluorobenzoyl)-6 -aminocaproyl]-N6-(6-biotinamidocaproyl)-L -lysinylamido}] Ethyl 2-Carboxyethyl Disulfide is 978.35376 g/mol.
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