TrkA-IN-1

CAT: 0607-BA8578-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8578-5Size:5 mg

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

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CAS Number

1680179-43-4

Form

A solid

Molecular Formula

C25H20N4O

Molecular Weight

392.45

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

TrkA-IN-1

CAS Number	1680179-43-4
PubChem CID	117967296
IUPAC Name	1-(9H-fluoren-9-yl)-3-(2-methyl-4-phenylpyrimidin-5-yl)urea
Molecular Formula	C25H20N4O
Molecular Weight	392.5
XLogP	4.2
Topological Polar Surface Area	66.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	30
Formal Charge	0
Complexity	570

SMILES

CC1=NC=C(C(=N1)C2=CC=CC=C2)NC(=O)NC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C25H20N4O/c1-16-26-15-22(23(27-16)17-9-3-2-4-10-17)28-25(30)29-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-15,24H,1H3,(H2,28,29,30)

InChIKey

PKOROKYRNIDSPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1680179-43-4

CID: 117967296

Formula: C25H20N4O

MW: 392.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.5
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	392.16371127
Monoisotopic Mass	392.16371127
Topological Polar Surface Area	66.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	570
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
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