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ABX464

CAT: 0926-IAC45375-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-IAC45375-02Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1258453-75-6
MDL Number
MFCD31657325
Smiles
C1=CC2=C (C (=C1) Cl) N=C (C=C2) NC3=CC=C (C=C3) OC (F) (F) F
Molecular Formula
C16H10ClF3N2O
Molecular Weight
338.71 g/mol
Controlled
No

Chemical Information

Obefazimod

ABX-464 is under investigation in clinical trial NCT03905109 (Safety Evaluation of ABX464 in Patients With Moderate to Severe Active Crohn's Disease).

CAS Number1258453-75-6
PubChem CID49846599
IUPAC Name8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine
Molecular FormulaC16H10ClF3N2O
Molecular Weight338.71
XLogP5.9
Topological Polar Surface Area34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity388
SMILES
C1=CC2=C(C(=C1)Cl)N=C(C=C2)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)
InChIKey
OZOGDCZJYVSUBR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Obefazimod
CAS: 1258453-75-6
CID: 49846599
Formula: C16H10ClF3N2O
MW: 338.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.71
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass338.0433751
Monoisotopic Mass338.0433751
Topological Polar Surface Area34.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity388
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C06985-5mgABX464

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