HDAC8-IN-1 200mg

CAT: 0628-A17091-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A17091-200Size:200 mg

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

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CAS Number

1417997-93-3

Chemical Information

Hdac8-IN-1

CAS Number	1417997-93-3
PubChem CID	70676597
IUPAC Name	(E)-N-hydroxy-3-[4-methoxy-2-(4-phenylphenyl)phenyl]prop-2-enamide
Molecular Formula	C22H19NO3
Molecular Weight	345.4
XLogP	4.4
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	464

SMILES

COC1=CC(=C(C=C1)/C=C/C(=O)NO)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H19NO3/c1-26-20-13-11-19(12-14-22(24)23-25)21(15-20)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15,25H,1H3,(H,23,24)/b14-12+

InChIKey

ASHPRZYGCOMVHO-WYMLVPIESA-N

Chemical Structure

2D Structure

CAS: 1417997-93-3

CID: 70676597

Formula: C22H19NO3

MW: 345.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	345.4
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	345.13649347
Monoisotopic Mass	345.13649347
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	464
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