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CAY10654

CAT: 0931-T37462-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T37462-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1298023-69-4
Target
Others
Related Pathways
Others
Bioactivity
CAY10654 has a wide range of applications in life science related research.
Smiles
O=C(NC1=CC(Cl)=CC=C1O)CC(=O)NCCCCCCCC
Molecular Formula
C17H25ClN2O3
Molecular Weight
340.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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