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Chemical structure of BXL-628

GC19432

BXL-628

Also known as trans-(1R,3Z,5S)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2S)-6-ethyl-6-hydroxyoct-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-5-fluoro-4-methylidenecyclohexan-1-ol

BXL-628 (BXL-628) is a selective, orally active vitamin D receptor (VDR) agonist

ChemicalCAS199798-84-0MW442.7FormulaC29H43FO2
CAS number
199798-84-0
Molecular weight
442.7
Formula
C29H43FO2
Solubility
DMSO： 30 mg/ml,Ethanol： 20 mg/ml
InChIKey
LRLWXBHFPGSUOX-GJQYOBCGSA-N
Catalogue number
GC19432
Brand
GLPBIO
Computed properties PubChem CID 11396600 · XLogP 5.7 · TPSA 40.5 Ų · H-bond donors 2
XLogP
5.7
TPSA
40.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
32

SMILES CCC(CC)(/C=C/C[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)F)O)C)O

Computed descriptors from PubChem (CID 11396600), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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