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CSF1R-IN-12

CAT: 0607-BA8862-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8862-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2361556-35-4
Form
A solid
Molecular Formula
C21H17F3N4O
Molecular Weight
398.38
Shipping Conditions
Blue ice
Storage Conditions
4°C, desiccated and protect from light.

Chemical Information

Csf1R-IN-12
CAS Number2361556-35-4
PubChem CID163408921
IUPAC Name4-[4-methyl-6-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-3-pyridinyl]-2,3-dihydroisoindol-1-one
Molecular FormulaC21H17F3N4O
Molecular Weight398.4
XLogP3.4
Topological Polar Surface Area66.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity587
SMILES
CC1=CC(=NC=C1C2=C3CNC(=O)C3=CC=C2)NCC4=CN=C(C=C4)C(F)(F)F
InChI
InChI=1S/C21H17F3N4O/c1-12-7-19(26-9-13-5-6-18(25-8-13)21(22,23)24)27-10-16(12)14-3-2-4-15-17(14)11-28-20(15)29/h2-8,10H,9,11H2,1H3,(H,26,27)(H,28,29)
InChIKey
NUASBLXKMUYBJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Csf1R-IN-12
CAS: 2361556-35-4
CID: 163408921
Formula: C21H17F3N4O
MW: 398.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass398.13544566
Monoisotopic Mass398.13544566
Topological Polar Surface Area66.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity587
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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