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Feniralstat

CAT: 0127-BUP13870-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13870-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2166320-76-7
Purity
=98%
Smiles
COCc1nn(Cc2ccc(Cn3cc(F)ccc3=O)cc2)cc1C(=O)NCc1nccc(OC)c1F

Chemical Information

Feniralstat
CAS Number2166320-76-7
PubChem CID139301832
IUPAC NameN-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-1-[[4-[(5-fluoro-2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-(methoxymethyl)pyrazole-4-carboxamide
Molecular FormulaC26H25F2N5O4
Molecular Weight509.5
XLogP1.1
Topological Polar Surface Area98.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity851
SMILES
COCC1=NN(C=C1C(=O)NCC2=NC=CC(=C2F)OC)CC3=CC=C(C=C3)CN4C=C(C=CC4=O)F
InChI
InChI=1S/C26H25F2N5O4/c1-36-16-22-20(26(35)30-11-21-25(28)23(37-2)9-10-29-21)15-33(31-22)13-18-5-3-17(4-6-18)12-32-14-19(27)7-8-24(32)34/h3-10,14-15H,11-13,16H2,1-2H3,(H,30,35)
InChIKey
ZRUFVDPYHLTYPD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Feniralstat
CAS: 2166320-76-7
CID: 139301832
Formula: C26H25F2N5O4
MW: 509.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.5
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass509.18746062
Monoisotopic Mass509.18746062
Topological Polar Surface Area98.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity851
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

Alternative Products

CatalogName
BA6074-5.1Feniralstat
GTR19274399-01Feniralstat hydrochloride
HY-145568AFeniralstat (hydrochloride)

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