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FLI-28

CAT: 0013-GTR19197622-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197622-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
FLI-28
CAS Number
433244-15-6
Field of Research
Musculoskeletal & Connective Tissue Research
Smiles
CC1=C (C (C2=CC=C (C=C2) [N+] ([O-]) =O) C2=C (CC (C) (C) CC2=O) N1) C (=O) OC1CCCCCC1
Molecular Formula
C26H32N2O5
Molecular Weight
452.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cycloheptyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS Number433244-15-6
PubChem CID2916891
IUPAC Namecycloheptyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Molecular FormulaC26H32N2O5
Molecular Weight452.5
XLogP5.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity866
SMILES
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCCCC4
InChI
InChI=1S/C26H32N2O5/c1-16-22(25(30)33-19-8-6-4-5-7-9-19)23(17-10-12-18(13-11-17)28(31)32)24-20(27-16)14-26(2,3)15-21(24)29/h10-13,19,23,27H,4-9,14-15H2,1-3H3
InChIKey
DWAMXDDWZNNXEQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cycloheptyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CAS: 433244-15-6
CID: 2916891
Formula: C26H32N2O5
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass452.23112213
Monoisotopic Mass452.23112213
Topological Polar Surface Area101 Ų
Heavy Atom Count33
Formal Charge0
Complexity866
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

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