Products for Research Use Only

FK-448 Free base

CAT: 0013-GTR19205873-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205873-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FK-448 Free base
CAS Number
85858-76-0
Field of Research
Protein Biochemistry
Smiles
C (OC1=CC=C (C (=O) N2CCN (C (C) C) CC2) C=C1) (=O) C3C=4C (CCC3) =CC=CC4
Molecular Formula
C25H30N2O3
Molecular Weight
406.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

FK-448 Free base
CAS Number85858-76-0
PubChem CID174764
IUPAC Name[4-(4-propan-2-ylpiperazine-1-carbonyl)phenyl] 1,2,3,4-tetrahydronaphthalene-1-carboxylate
Molecular FormulaC25H30N2O3
Molecular Weight406.5
XLogP4.3
Topological Polar Surface Area49.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity591
SMILES
CC(C)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(=O)C3CCCC4=CC=CC=C34
InChI
InChI=1S/C25H30N2O3/c1-18(2)26-14-16-27(17-15-26)24(28)20-10-12-21(13-11-20)30-25(29)23-9-5-7-19-6-3-4-8-22(19)23/h3-4,6,8,10-13,18,23H,5,7,9,14-17H2,1-2H3
InChIKey
BPNWUGVANKCJDV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FK-448 Free base
CAS: 85858-76-0
CID: 174764
Formula: C25H30N2O3
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass406.22564282
Monoisotopic Mass406.22564282
Topological Polar Surface Area49.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes