HDHODH-IN-1

CAT: 0957-S0746-1mgSize: 1 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0957-S0746-1mgSize:1 mg

Selected

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

Quick Request Actions

CAS Number

1173715-42-8

Target

Dehydrogenase

Applications

Metabolism

Molecular Formula

C17H14N2O2

Additionnal Information

HDHODH-IN-1 is a potent inhibitor of human dihydroorotate dehydrogenase (hDHODH) with anti-inflammatory effect.

Storage Conditions

3 years -20°C powder

Chemical Information

(2Z)-N-biphenyl-4-yl-2-cyano-3-hydroxybut-2-enamide

CAS Number	1173715-42-8
PubChem CID	54727972
IUPAC Name	(Z)-2-cyano-3-hydroxy-N-(4-phenylphenyl)but-2-enamide
Molecular Formula	C17H14N2O2
Molecular Weight	278.30
XLogP	4
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	447

SMILES

C/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)/O

InChI

InChI=1S/C17H14N2O2/c1-12(20)16(11-18)17(21)19-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,20H,1H3,(H,19,21)/b16-12-

InChIKey

MUVPBAIVOHJDOC-VBKFSLOCSA-N

Chemical Structure

2D Structure

CAS: 1173715-42-8

CID: 54727972

Formula: C17H14N2O2

MW: 278.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.30
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	278.105527694
Monoisotopic Mass	278.105527694
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	447
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