NLRP3-IN-10

CAT: 0607-BA6117-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6117-100Size:100 mg

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

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CAS Number

2641826-39-1

Form

A solid

Molecular Formula

C17H14BrFO3

Molecular Weight

365.19

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Nlrp3-IN-10

CAS Number	2641826-39-1
PubChem CID	156702996
IUPAC Name	(E)-3-(4-bromo-2,5-dimethoxyphenyl)-1-(4-fluorophenyl)prop-2-en-1-one
Molecular Formula	C17H14BrFO3
Molecular Weight	365.2
XLogP	4.4
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	393

SMILES

COC1=CC(=C(C=C1/C=C/C(=O)C2=CC=C(C=C2)F)OC)Br

InChI

InChI=1S/C17H14BrFO3/c1-21-16-10-14(18)17(22-2)9-12(16)5-8-15(20)11-3-6-13(19)7-4-11/h3-10H,1-2H3/b8-5+

InChIKey

ZXMIFRJYIRYWTC-VMPITWQZSA-N

Chemical Structure

2D Structure

CAS: 2641826-39-1

CID: 156702996

Formula: C17H14BrFO3

MW: 365.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	365.2
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	364.01104
Monoisotopic Mass	364.01104
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	393
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BUP10332-01	NLRP3-IN-10
QY-E06005	Human NLRP3 Inflammasome (NLRP3)
326012-01	NLRP3