TL;DR: Tfa-dope (CAS 138898-69-8) is a chemical compound with molecular formula C43H77F3NO9P and molecular weight 839.5288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[hydroxy-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phosphoryl]oxy-2-octadec-9-enoyloxypropyl] octadec-9-enoate
Also Known As: Tfa-dope, N-Trifluoroacetyl-1,2-dioleoylphosphatidylethanolamine, 9-Octadecenoic acid,1-(9,9,9-trifluoro-3-hydroxy-3-oxido-8-oxo-2,4-dioxa-7-aza-3-phosphanon-1-yl)-1,2-ethanediylester (9CI)
| Molecular Formula | C43H77F3NO9P |
| Molecular Weight | 839.5288 g/mol |
| XLogP | 14.2 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 42 |
| Exact Mass | 839.5288 Da |
| Heavy Atoms | 57 |
| Complexity | 1100.0 |
| SMILES | CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)C(F)(F)F)OC(=O)CCCCCCCC=CCCCCCCCC |
| InChIKey | BUKHLBMFBOGEPV-UHFFFAOYSA-N |
The XLogP value of 14.2 indicates that Tfa-dope is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tfa-dope. Following Lipinski's Rule of Five, Tfa-dope has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tfa-dope is 138898-69-8.
The molecular formula of Tfa-dope is C43H77F3NO9P.
The molecular weight of Tfa-dope is 839.5288 g/mol.
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