PTP1B-IN-15

CAT: 0607-BA8118-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA8118-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

765317-71-3

Form

A solid

Molecular Formula

C19H17Br2NO5S

Molecular Weight

531.21

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

3-(3,5-Dibromo-4-Hydroxy-Benzoyl)-2-Ethyl-Benzofuran-6-Sulfonic Acid Dimethylamide

CAS Number	765317-71-3
PubChem CID	448660
IUPAC Name	3-(3,5-dibromo-4-hydroxybenzoyl)-2-ethyl-N,N-dimethyl-1-benzofuran-6-sulfonamide
Molecular Formula	C19H17Br2NO5S
Molecular Weight	531.2
XLogP	4.7
Topological Polar Surface Area	96.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	670

SMILES

CCC1=C(C2=C(O1)C=C(C=C2)S(=O)(=O)N(C)C)C(=O)C3=CC(=C(C(=C3)Br)O)Br

InChI

InChI=1S/C19H17Br2NO5S/c1-4-15-17(18(23)10-7-13(20)19(24)14(21)8-10)12-6-5-11(9-16(12)27-15)28(25,26)22(2)3/h5-9,24H,4H2,1-3H3

InChIKey

FEYGJZKVMASWJB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 765317-71-3

CID: 448660

Formula: C19H17Br2NO5S

MW: 531.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	531.2
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	530.91737
Monoisotopic Mass	528.91942
Topological Polar Surface Area	96.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	670
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

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