AZD4144

CAT: 1568-C03321-25mgSize: 25 mgDry Ice: NoHazardous: No

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CAT#:1568-C03321-25mgSize:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2890191-41-8

Target

NLRP3

Applications

Immunology & Inflammation

Molecular Formula

C18H16F3N3O3

Chemical Information

(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol

CAS Number	2890191-41-8
PubChem CID	166456099
IUPAC Name	(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol
Molecular Formula	C18H16F3N3O3
Molecular Weight	379.3
XLogP	2.9
Topological Polar Surface Area	98.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	483

SMILES

C1=CC=C2C(=C1)C(=NN=C2NC[C@@H](CO)O)C3=C(C=C(C=C3)C(F)(F)F)O

InChI

InChI=1S/C18H16F3N3O3/c19-18(20,21)10-5-6-14(15(27)7-10)16-12-3-1-2-4-13(12)17(24-23-16)22-8-11(26)9-25/h1-7,11,25-27H,8-9H2,(H,22,24)/t11-/m0/s1

InChIKey

CEGVLCNHZDUFIJ-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 2890191-41-8

CID: 166456099

Formula: C18H16F3N3O3

MW: 379.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	379.3
XLogP3	2.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	5
Exact Mass	379.11437587
Monoisotopic Mass	379.11437587
Topological Polar Surface Area	98.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	483
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
E4741-01	AZD4144