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ASP-1645

CAT: 0013-GTR19195835-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19195835-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ASP-1645 is a small molecule bioactive compound utilized in biochemical research. It serves as a valuable tool for in vitro and in vivo studies, particularly in the fields of cell signaling and pharmacology.
CAS Number
1347392-70-4
Smiles
O=C1C=2C (N (C=C1O[C@H] (C (O) =O) C) C3CCCC3) =CC (NC4CCCCC4) =C (F) C2
Molecular Formula
C23H29FN2O4
Molecular Weight
416.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Propanoic acid, 2-((7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinyl)oxy)-, (2S)-
CAS Number1347392-70-4
PubChem CID23653460
IUPAC Name(2S)-2-[7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-4-oxoquinolin-3-yl]oxypropanoic acid
Molecular FormulaC23H29FN2O4
Molecular Weight416.5
XLogP5
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity672
SMILES
C[C@@H](C(=O)O)OC1=CN(C2=CC(=C(C=C2C1=O)F)NC3CCCCC3)C4CCCC4
InChI
InChI=1S/C23H29FN2O4/c1-14(23(28)29)30-21-13-26(16-9-5-6-10-16)20-12-19(18(24)11-17(20)22(21)27)25-15-7-3-2-4-8-15/h11-16,25H,2-10H2,1H3,(H,28,29)/t14-/m0/s1
InChIKey
CRWGPQQAFJBINX-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Propanoic acid, 2-((7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinyl)oxy)-, (2S)-
CAS: 1347392-70-4
CID: 23653460
Formula: C23H29FN2O4
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass416.21113557
Monoisotopic Mass416.21113557
Topological Polar Surface Area78.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity672
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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