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Kayahope

CAT: 0804-HY-121633Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-121633Size:1 Each
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Description
Kayahope is a fungal inhibitor[1].
CAS Number
49828-25-3
UNSPSC
12352005
Target
Fungal
Type
Reference compound
Related Pathways
Anti-infection
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/kayahope.html
Smiles
CCCSC1=CC(OC2=CC=C(C=C2)[N+]([O-])=O)=CC=C1Cl
Molecular Formula
C15H14ClNO3S
Molecular Weight
323.79
References & Citations
[1]Renault S, et al. CAY-1, a novel antifungal compound from cayenne pepper. Med Mycol. 2003 Feb;41 (1) :75-81.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Kayahope

an acaricide

CAS Number49828-25-3
PubChem CID162579
IUPAC Name1-chloro-4-(4-nitrophenoxy)-2-propylsulfanylbenzene
Molecular FormulaC15H14ClNO3S
Molecular Weight323.8
XLogP5.3
Topological Polar Surface Area80.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity331
SMILES
CCCSC1=C(C=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C15H14ClNO3S/c1-2-9-21-15-10-13(7-8-14(15)16)20-12-5-3-11(4-6-12)17(18)19/h3-8,10H,2,9H2,1H3
InChIKey
SPJLQKZVWZEOOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kayahope
CAS: 49828-25-3
CID: 162579
Formula: C15H14ClNO3S
MW: 323.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.8
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass323.0382922
Monoisotopic Mass323.0382922
Topological Polar Surface Area80.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity331
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

Alternative Products

CatalogName
T24252-01Kayahope

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