EN40

CAT: 0926-UID54767-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-UID54767-01Size:10 mg

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

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CAS Number

2094547-67-6

Smiles

CC1=C (CN (CC1) C (=O) C=C) C2=CC=CO2

Molecular Formula

C13H15NO2

Molecular Weight

217.26 g/mol

Controlled

Chemical Information

ALDH3A1 inhibitor EN40

CAS Number	2094547-67-6
PubChem CID	126824761
IUPAC Name	1-[5-(furan-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-1-yl]prop-2-en-1-one
Molecular Formula	C13H15NO2
Molecular Weight	217.26
XLogP	1.2
Topological Polar Surface Area	33.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	333

SMILES

CC1=C(CN(CC1)C(=O)C=C)C2=CC=CO2

InChI

InChI=1S/C13H15NO2/c1-3-13(15)14-7-6-10(2)11(9-14)12-5-4-8-16-12/h3-5,8H,1,6-7,9H2,2H3

InChIKey

UYNKILJNUUDFFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2094547-67-6

CID: 126824761

Formula: C13H15NO2

MW: 217.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.26
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	217.110278721
Monoisotopic Mass	217.110278721
Topological Polar Surface Area	33.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	333
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
WUA80764-01	EN460

Catalog	Name
BA7142-10	EN40
MBS3603291-01	ALDH3A1 inhibitor EN40