Tegeprotafib

CAT: 0127-BUP01390-04Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01390-04Size:25 mg

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CAS Number

2407610-46-0

Synonyms

PTPN2/1-IN-1

Purity

=98%

Smiles

O=C1NS(=O)(=O)N(C=2C(O)=CC3=CC=C(OC)C=C3C2F)C1

Chemical Information

Tegeprotafib

Tegeprotafib is a small molecule drug. Tegeprotafib has a monoisotopic molecular weight of 326.04 Da.

CAS Number	2407610-46-0
PubChem CID	153379950
IUPAC Name	5-(1-fluoro-3-hydroxy-7-methoxynaphthalen-2-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Molecular Formula	C13H11FN2O5S
Molecular Weight	326.30
XLogP	1.4
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	551

SMILES

COC1=CC2=C(C(=C(C=C2C=C1)O)N3CC(=O)NS3(=O)=O)F

InChI

InChI=1S/C13H11FN2O5S/c1-21-8-3-2-7-4-10(17)13(12(14)9(7)5-8)16-6-11(18)15-22(16,19)20/h2-5,17H,6H2,1H3,(H,15,18)

InChIKey

CPLSFGHDGOFDRP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2407610-46-0

CID: 153379950

Formula: C13H11FN2O5S

MW: 326.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	326.30
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	326.03727079
Monoisotopic Mass	326.03727079
Topological Polar Surface Area	104 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	551
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
T79049-01	Tegeprotafib