Tyrphostin ag 658

CAT: 0926-HEA78800-01Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-HEA78800-01Size:25 mg

Selected

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

Quick Request Actions

CAS Number

107788-00-1

MDL Number

MFCD00673898

Smiles

COC1=CC (=CC (=C1O) CSC2=CC=CC=C2) C=C (C#N) C (=O) N

Molecular Formula

C18H16N2O3S

Molecular Weight

340.4 g/mol

Controlled

Chemical Information

2-Propenamide, 2-cyano-3-(4-hydroxy-3-methoxy-5-((phenylthio)methyl)phenyl)-

CAS Number	107788-00-1
PubChem CID	6447926
IUPAC Name	(E)-2-cyano-3-[4-hydroxy-3-methoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide
Molecular Formula	C18H16N2O3S
Molecular Weight	340.4
XLogP	2.8
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	24
Formal Charge	0
Complexity	508

SMILES

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+

InChIKey

FOGXCBUSKWTDKV-NTUHNPAUSA-N

Chemical Structure

2D Structure

CAS: 107788-00-1

CID: 6447926

Formula: C18H16N2O3S

MW: 340.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	340.08816355
Monoisotopic Mass	340.08816355
Topological Polar Surface Area	122 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	508
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