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CAY10464

CAT: 0931-T84540-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T84540-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
688348-37-0
Target
Aryl Hydrocarbon Receptor, AhR
Related Pathways
Immunology/Inflammation, Metabolism
Purity
0.9996
Bioactivity
CAY10464 (AHR antagonist 7) is a potent AHR antagonist with potential antitumor activity that inhibits CYP1A1 mRNA expression and may be used to study cancer and metabolic diseases.
Smiles
C(=C/C1=CC(Cl)=CC(Cl)=C1)\C2=CC=C(OC)C=C2
Molecular Formula
C15H12Cl2O
Molecular Weight
279.16
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-dichloro-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-benzene
CAS Number688348-37-0
PubChem CID10062125
IUPAC Name1,3-dichloro-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
Molecular FormulaC15H12Cl2O
Molecular Weight279.2
XLogP5.4
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity262
SMILES
COC1=CC=C(C=C1)/C=C/C2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H12Cl2O/c1-18-15-6-4-11(5-7-15)2-3-12-8-13(16)10-14(17)9-12/h2-10H,1H3/b3-2+
InChIKey
YDVZIQMQLZBUKX-NSCUHMNNSA-N
Chemical Structure
2D Structure
2D structure of 1,3-dichloro-5-[(1E)-2-(4-methoxyphenyl)ethenyl]-benzene
CAS: 688348-37-0
CID: 10062125
Formula: C15H12Cl2O
MW: 279.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.2
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass278.0265204
Monoisotopic Mass278.0265204
Topological Polar Surface Area9.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity262
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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