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CAY10726

CAT: 0013-GTR19192113-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19192113-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CAY10726
CAS Number
1611446-66-2
Field of Research
Cell Biology, Metabolism Research
Smiles
O=C (O) CCCCCCCCCCCCCCCNC (=O) NC1=CC=C (Cl) C (=C1) C (F) (F) F
Molecular Formula
C24H36ClF3N2O3
Molecular Weight
493
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

16-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-hexadecanoicacid
CAS Number1611446-66-2
PubChem CID74223607
IUPAC Name16-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]hexadecanoic acid
Molecular FormulaC24H36ClF3N2O3
Molecular Weight493.0
XLogP9.1
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Heavy Atom Count33
Formal Charge0
Complexity550
SMILES
C1=CC(=C(C=C1NC(=O)NCCCCCCCCCCCCCCCC(=O)O)C(F)(F)F)Cl
InChI
InChI=1S/C24H36ClF3N2O3/c25-21-16-15-19(18-20(21)24(26,27)28)30-23(33)29-17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-22(31)32/h15-16,18H,1-14,17H2,(H,31,32)(H2,29,30,33)
InChIKey
SSBRGGKJZDBNKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 16-[[[[4-Chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]-hexadecanoicacid
CAS: 1611446-66-2
CID: 74223607
Formula: C24H36ClF3N2O3
MW: 493.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.0
XLogP39.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count17
Exact Mass492.2366552
Monoisotopic Mass492.2366552
Topological Polar Surface Area78.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity550
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

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