A 25794

CAT: 0013-GTR19198447-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19198447-02Size:100 mg

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Description

A 25794

CAS Number

22198-93-2

Field of Research

Infectious Disease & Virology

Smiles

COc1cc (C=CC (=O) NC (C) (C) C#C) cc (OC) c1OC |w:6.6|

Molecular Formula

C17H21NO4

Molecular Weight

303.358

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

A 25794

CAS Number	22198-93-2
PubChem CID	6433800
IUPAC Name	(E)-N-(2-methylbut-3-yn-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Molecular Formula	C17H21NO4
Molecular Weight	303.35
XLogP	2.2
Topological Polar Surface Area	56.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	435

SMILES

CC(C)(C#C)NC(=O)/C=C/C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C17H21NO4/c1-7-17(2,3)18-15(19)9-8-12-10-13(20-4)16(22-6)14(11-12)21-5/h1,8-11H,2-6H3,(H,18,19)/b9-8+

InChIKey

APIXMWJMJACVBU-CMDGGOBGSA-N

Chemical Structure

2D Structure

CAS: 22198-93-2

CID: 6433800

Formula: C17H21NO4

MW: 303.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.35
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	303.14705815
Monoisotopic Mass	303.14705815
Topological Polar Surface Area	56.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	435
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
HY-122285	A-25794
MBS5776144	A 25794
TL312915V	Fascin 2 (FSCN2) Human shRNA Lentiviral Particle (Locus ID 25794)
TL312915	Fascin 2 (FSCN2) Human shRNA Plasmid Kit (Locus ID 25794)
SR308506	Fascin 2 (FSCN2) Human siRNA Oligo Duplex (Locus ID 25794)