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FGFR4-IN-5

CAT: 0607-BA8954-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8954-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1628793-01-0
Form
A solid
Molecular Formula
C23H23Cl2N5O5
Molecular Weight
520.37
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Fgfr4-IN-5
CAS Number1628793-01-0
PubChem CID90436886
IUPAC NameN-[(3R,4S)-4-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide
Molecular FormulaC23H23Cl2N5O5
Molecular Weight520.4
XLogP2.9
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity831
SMILES
CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C(=CC(=C3Cl)OC)OC)Cl)N[C@@H]4COC[C@@H]4NC(=O)C=C
InChI
InChI=1S/C23H23Cl2N5O5/c1-5-17(31)27-13-9-35-10-14(13)28-23-26-8-11-6-12(22(32)30(2)21(11)29-23)18-19(24)15(33-3)7-16(34-4)20(18)25/h5-8,13-14H,1,9-10H2,2-4H3,(H,27,31)(H,26,28,29)/t13-,14+/m0/s1
InChIKey
ZIJVLVUPDVUSMA-UONOGXRCSA-N
Chemical Structure
2D Structure
2D structure of Fgfr4-IN-5
CAS: 1628793-01-0
CID: 90436886
Formula: C23H23Cl2N5O5
MW: 520.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.4
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass519.1076242
Monoisotopic Mass519.1076242
Topological Polar Surface Area115 Ų
Heavy Atom Count35
Formal Charge0
Complexity831
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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