Products for Research Use Only
RegisterLogin

Tropifexor

CAT: 0607-BA3602-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA3602-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1383816-29-2
Form
A solid
Molecular Formula
C29H25F4N3O5S
Molecular Weight
603.58
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Ljn452

See other relationships...

CAS Number1383816-29-2
PubChem CID121418176
IUPAC Name2-[(1R,5S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid
Molecular FormulaC29H25F4N3O5S
Molecular Weight603.6
XLogP6.8
Topological Polar Surface Area126
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity979
SMILES
C1C[C@H]2CC(C[C@@H]1N2C3=NC4=C(C=C(C=C4S3)C(=O)O)F)OCC5=C(ON=C5C6=CC=CC=C6OC(F)(F)F)C7CC7
InChI
InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18?
InChIKey
VYLOOGHLKSNNEK-JWTNVVGKSA-N
Chemical Structure
2D Structure
2D structure of Ljn452
CAS: 1383816-29-2
CID: 121418176
Formula: C29H25F4N3O5S
MW: 603.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight603.6
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass603.14510473
Monoisotopic Mass603.14510473
Topological Polar Surface Area126 Ų
Heavy Atom Count42
Formal Charge0
Complexity979
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T4379-01Tropifexor
A16968-500Tropifexor 500mg
A16968-100Tropifexor 100mg
A16968-25Tropifexor 25mg
A16968-10Tropifexor 10mg
A16968-2Tropifexor 2mg
A16968-5Tropifexor 5mg
S8733-10mgTropifexor (LJN452)
A16968-200Tropifexor 200mg
A16968-50Tropifexor 50mg

Popular Products