PTP inhibitor 1

CAT: 0127-BUP17684Size: 2 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP17684Size:2 g

Selected

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

Quick Request Actions

CAS Number

2632-13-5

Synonyms

PTP Inhibitor II

Purity

=95%

Smiles

COC1=CC=C(C=C1)C(=O)CBr

Chemical Information

Bromomethyl 4-methoxyphenyl ketone

CAS Number	2632-13-5
PubChem CID	4965
IUPAC Name	2-bromo-1-(4-methoxyphenyl)ethanone
Molecular Formula	C9H9BrO2
Molecular Weight	229.07
XLogP	2.5
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	151

SMILES

COC1=CC=C(C=C1)C(=O)CBr

InChI

InChI=1S/C9H9BrO2/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5H,6H2,1H3

InChIKey

XQJAHBHCLXUGEP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2632-13-5

CID: 4965

Formula: C9H9BrO2

MW: 229.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.07
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	227.97859
Monoisotopic Mass	227.97859
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	151
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
105-350	Ribunuclease Inhibitor / RNase Inhibitor
880001	Inhibitor A
TBI1188-25MG	Xanthohumol, VCP inhibitor / Autophagy inhibitor
TBI2547-10MG	FAK inhibitor 14, FAK inhibitor
SF2784-10mM	AKT inhibitor VIII (Akt inhibitor)
GTR17853717	C1 Inhibitor (Esterase Inhibitor) Antibody
TBI2616-5MG	Oridonin, HSP70 inhibitor; Inflammasome inhibitor
TBI2877-200UG	Conglobatin, NFAT inhibitor; HSP90 inhibitor
TBI2567-1MG	Herbimycin A, HSP90 inhibitor; Src inhibitor
TBI2047-50MG	DRB, Transcription inhibitor; CK2 inhibitor