Paprotrain 10mg

CAT: 0628-A20346-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0628-A20346-10Size:10 mg

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

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CAS Number

57046-73-8

Chemical Information

Paprotrain

CAS Number	57046-73-8
PubChem CID	12248889
IUPAC Name	(Z)-2-(1H-indol-3-yl)-3-pyridin-3-ylprop-2-enenitrile
Molecular Formula	C16H11N3
Molecular Weight	245.28
XLogP	2.8
Topological Polar Surface Area	52.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	392

SMILES

C1=CC=C2C(=C1)C(=CN2)/C(=C/C3=CN=CC=C3)/C#N

InChI

InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+

InChIKey

YMYYQRZCCKBFBE-MDWZMJQESA-N

Chemical Structure

2D Structure

CAS: 57046-73-8

CID: 12248889

Formula: C16H11N3

MW: 245.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	245.28
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	245.095297364
Monoisotopic Mass	245.095297364
Topological Polar Surface Area	52.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	392
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

Catalog	Name
T12359-01	Paprotrain
256166-01	Paprotrain discontinued
HY-101298R	Paprotrain (Standard)
CS20	Cagrisema (10mg+10mg)
MBS6030968-01	Paprotrain ((Z)-alpha-(3-Pyridinylmethylene)-1H-indole-3-acetonitrile)
BB20	BPC 10mg + TB 10mg