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Chemical structure of N1,N3,N5-Tris(4-dodecylhexadecyl)benzene-1,3,5-tricarboxamide

GC70074

N1,N3,N5-Tris(4-dodecylhexadecyl)benzene-1,3,5-tricarboxamide

Also known as 1-N,3-N,5-N-tris(4-dodecylhexadecyl)benzene-1,3,5-tricarboxamide

N1,N3,N5-Tris(4-dodecylhexadecyl)benzene-1,3,5-tricarboxamide is an analogue of TT3· TT3 is an ionizable lipid material used for the delivery of mRNA and CRISPR/Cas9

ChemicalCAS2922283-38-1MW1385.42FormulaC93H177N3O3
CAS number
2922283-38-1
Molecular weight
1385.42
Formula
C93H177N3O3
Solubility
DMSO ： 100 mg/mL (72·18 mM; ultrasonic and warming and heat to 60°C)
InChIKey
DQAMJJULADYTQN-UHFFFAOYSA-N
Catalogue number
GC70074
Brand
GLPBIO
Computed properties PubChem CID 163196448 · XLogP 41.6 · TPSA 87.3 Ų · H-bond donors 3
XLogP
41.6
TPSA
87.3 Ų
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
81
Heavy atoms
99

SMILES CCCCCCCCCCCCC(CCCCCCCCCCCC)CCCNC(=O)C1=CC(=CC(=C1)C(=O)NCCCC(CCCCCCCCCCCC)CCCCCCCCCCCC)C(=O)NCCCC(CCCCCCCCCCCC)CCCCCCCCCCCC

Computed descriptors from PubChem (CID 163196448), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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