Organofluorine / Alfa Chemistry
SR-0987

SR-0987

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SR-0987

Description: SR0987 is a RORγt agonist with an EC50 of 800 nM. SR0987 increases IL17 expression while repressing the expression of PD-1.

Catalog OFC303126978
CAS 303126-97-8
Category Fluorinated APIs
Synonyms 2-Chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
Purity >98%
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Other Identifiers Chemical Data Computational Chemistry
IUPAC Name 2-chloro-N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzamide
InChI InChI=1S/C16H10ClF6NO2/c17-12-4-2-1-3-11(12)13(25)24-10-7-5-9(6-8-10)14(26,15(18,19)20)16(21,22)23/h1-8,26H,(H,24,25)
InChI Key IZVBONMVWLTLNT-UHFFFAOYSA-N
Isomeric SMILES C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)Cl
Molecular Formula C16H10ClF6NO2
Molecular Weight 397.7
Appearance White to off-white solid powder
XLogP3-AA 4.6
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 3
Exact Mass 397.0304252 g/mol
Monoisotopic Mass 397.0304252 g/mol
Topological Polar Surface Area 49.3Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 488

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