TL;DR: 1-(6-(4-Azido-2,3,5,6-tetrafluorobenzamido)hexyl)-3-cyclohexylcarbodiimide (CAS 157918-73-5) is a chemical compound with molecular formula C20H26F4N6O and molecular weight 442.21042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[6-[[amino(cyclohexyl)methylidene]amino]hexyl]-4-azido-2,3,5,6-tetrafluorobenzamide
Also Known As: Tfpacd, 1-(6-(4-Azido-2,3,5,6-tetrafluorobenzamido)hexyl)-3-cyclohexylcarbodiimide, N-[6-[[amino(cyclohexyl)methylidene]amino]hexyl]-4-azido-2,3,5,6-tetrafluorobenzamide, N-[6-[(Amino-cyclohexylmethylidene)amino]hexyl]-4-azido-2,3,5,6-tetrafluorobenzamide, Benzamide,4-azido-N-[6-[(cyclohexylcarbonimidoyl)amino]hexyl]-2,3,5,6-tetrafluoro-
| Molecular Formula | C20H26F4N6O |
| Molecular Weight | 442.21042 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 442.21042 Da |
| Heavy Atoms | 31 |
| Complexity | 638.0 |
| SMILES | C1CCC(CC1)C(=NCCCCCCNC(=O)C2=C(C(=C(C(=C2F)F)N=[N+]=[N-])F)F)N |
| InChIKey | MNDFMKQTLOKLAQ-UHFFFAOYSA-N |
The XLogP value of 5.1 indicates that 1-(6-(4-Azido-2,3,5,6-tetrafluorobenzamido)hexyl)-3-cyclohexylcarbodiimide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-(4-Azido-2,3,5,6-tetrafluorobenzamido)hexyl)-3-cyclohexylcarbodiimide. Following Lipinski's Rule of Five, 1-(6-(4-Azido-2,3,5,6-tetrafluorobenzamido)hexyl)-3-cyclohexylcarbodiimide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(6-(4-Azido-2,3,5,6-tetrafluorobenzamido)hexyl)-3-cyclohexylcarbodiimide is 157918-73-5.
The molecular formula of 1-(6-(4-Azido-2,3,5,6-tetrafluorobenzamido)hexyl)-3-cyclohexylcarbodiimide is C20H26F4N6O.
The molecular weight of 1-(6-(4-Azido-2,3,5,6-tetrafluorobenzamido)hexyl)-3-cyclohexylcarbodiimide is 442.21042 g/mol.
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