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CAY10654

CAT: 0013-GTR19190600-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190600-01Size:1 mg
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Description
CAY10654 is a versatile small molecule research tool with broad utility across life science disciplines. It is employed in both in vitro and in vivo studies, particularly in research areas involving inflammation and immune response pathways.
CAS Number
1298023-69-4
Smiles
O=C (NC1=CC (Cl) =CC=C1O) CC (=O) NCCCCCCCC
Molecular Formula
C17H25ClN2O3
Molecular Weight
340.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N'-(5-chloro-2-hydroxyphenyl)-N-octylpropanediamide

CAY10654 is an anilide.

CAS Number1298023-69-4
PubChem CID53238848
IUPAC NameN'-(5-chloro-2-hydroxyphenyl)-N-octylpropanediamide
Molecular FormulaC17H25ClN2O3
Molecular Weight340.8
XLogP4.8
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity366
SMILES
CCCCCCCCNC(=O)CC(=O)NC1=C(C=CC(=C1)Cl)O
InChI
InChI=1S/C17H25ClN2O3/c1-2-3-4-5-6-7-10-19-16(22)12-17(23)20-14-11-13(18)8-9-15(14)21/h8-9,11,21H,2-7,10,12H2,1H3,(H,19,22)(H,20,23)
InChIKey
VATFNKWOWBWJKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N'-(5-chloro-2-hydroxyphenyl)-N-octylpropanediamide
CAS: 1298023-69-4
CID: 53238848
Formula: C17H25ClN2O3
MW: 340.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.8
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass340.1553704
Monoisotopic Mass340.1553704
Topological Polar Surface Area78.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity366
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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