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CAY10606

CAT: 0013-GTR19190694-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190694-01Size:1 mg
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Description
CAY10606 is a versatile research compound employed in both in vitro and in vivo studies. It is widely used across life science disciplines, including investigations into inflammatory pathways and cellular signaling mechanisms.
CAS Number
1159576-98-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
CCOC (=O) c1c (Cc2cccc (Cl) c2) [nH]c2c1cc (O) c1ccccc21
Molecular Formula
C22H18ClNO3
Molecular Weight
379.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ethyl 2-[(3-chlorophenyl)methyl]-5-hydroxy-1H-benzo[g]indole-3-carboxylate
CAS Number1159576-98-3
PubChem CID44157725
IUPAC Nameethyl 2-[(3-chlorophenyl)methyl]-5-hydroxy-1H-benzo[g]indole-3-carboxylate
Molecular FormulaC22H18ClNO3
Molecular Weight379.8
XLogP5.7
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity530
SMILES
CCOC(=O)C1=C(NC2=C1C=C(C3=CC=CC=C32)O)CC4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H18ClNO3/c1-2-27-22(26)20-17-12-19(25)15-8-3-4-9-16(15)21(17)24-18(20)11-13-6-5-7-14(23)10-13/h3-10,12,24-25H,2,11H2,1H3
InChIKey
UNDGVXYIMIZWAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ethyl 2-[(3-chlorophenyl)methyl]-5-hydroxy-1H-benzo[g]indole-3-carboxylate
CAS: 1159576-98-3
CID: 44157725
Formula: C22H18ClNO3
MW: 379.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.8
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass379.0975211
Monoisotopic Mass379.0975211
Topological Polar Surface Area62.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity530
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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