NLRP3-IN-18

CAT: 0607-BA6120-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6120-1Size:1 mg

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CAS Number

2769040-06-2

Form

A solid

Molecular Formula

C19H18ClN3O

Molecular Weight

339.82

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Nlrp3-IN-18

CAS Number	2769040-06-2
PubChem CID	164983524
IUPAC Name	4-(4-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]phthalazin-1-amine
Molecular Formula	C19H18ClN3O
Molecular Weight	339.8
XLogP	4.1
Topological Polar Surface Area	47
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	402

SMILES

C1C[C@H](OC1)CNC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H18ClN3O/c20-14-9-7-13(8-10-14)18-16-5-1-2-6-17(16)19(23-22-18)21-12-15-4-3-11-24-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,23)/t15-/m0/s1

InChIKey

FVFXAPATLSJYGX-HNNXBMFYSA-N

Chemical Structure

2D Structure

CAS: 2769040-06-2

CID: 164983524

Formula: C19H18ClN3O

MW: 339.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	339.8
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	339.1138399
Monoisotopic Mass	339.1138399
Topological Polar Surface Area	47 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	402
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
HY-153554-01	NLRP3-IN-18
RHJ41101	Anti-Human NLRP3 Antibody (18#)
PTX24755-01	Anti-Human NLRP3 Monoclonal Antibody (18#)
QY-E06005	Human NLRP3 Inflammasome (NLRP3)
326012-01	NLRP3