Chromeceptin

CAT: 0607-BA8677-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8677-50Size:50 mg

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CAS Number

331859-86-0

Form

A solid

Molecular Formula

C19H16F3N3O

Molecular Weight

359.35

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Chromeceptin

inhibits Igf2 at the transcriptional level; structure in first source

CAS Number	331859-86-0
PubChem CID	3113922
IUPAC Name	2-amino-7-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]-4H-chromene-3-carbonitrile
Molecular Formula	C19H16F3N3O
Molecular Weight	359.3
XLogP	4.3
Topological Polar Surface Area	62.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	26
Formal Charge	0
Complexity	607

SMILES

CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O/c1-25(2)13-6-7-14-16(9-13)26-18(24)15(10-23)17(14)11-4-3-5-12(8-11)19(20,21)22/h3-9,17H,24H2,1-2H3

InChIKey

GVINXTXGDDSXFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 331859-86-0

CID: 3113922

Formula: C19H16F3N3O

MW: 359.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	359.3
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	359.12454663
Monoisotopic Mass	359.12454663
Topological Polar Surface Area	62.3 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	607
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-115449-01	Chromeceptin