Products for Research Use Only

K 486

CAT: 0013-GTR19194159Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194159Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
K 486 is a bioactive small molecule functioning as an aromatase inhibitor. It is utilized in research applications within oncology and endocrinology, particularly for studying estrogen biosynthesis in both in vitro assays and in vivo preclinical models.
CAS Number
20228-96-0
Smiles
Cl.O=C (OCCN (C) C) NC=1C (Cl) =CC=CC1C
Molecular Formula
C12H18Cl2N2O2
Molecular Weight
293.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Dimethylamino)ethyl hydrogen (2-chloro-6-methylphenyl)carbonimidate--hydrogen chloride (1/1)
CAS Number20228-96-0
PubChem CID30036
IUPAC Name2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19
Topological Polar Surface Area42.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity249
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)OCC[NH+](C)C.[Cl-]
InChI
InChI=1S/C12H17ClN2O2.ClH/c1-9-5-4-6-10(13)11(9)14-12(16)17-8-7-15(2)3;/h4-6H,7-8H2,1-3H3,(H,14,16);1H
InChIKey
HZKKWJABACSFEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Dimethylamino)ethyl hydrogen (2-chloro-6-methylphenyl)carbonimidate--hydrogen chloride (1/1)
CAS: 20228-96-0
CID: 30036
Formula: C12H18Cl2N2O2
MW: 293.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight293.19
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass292.0745332
Monoisotopic Mass292.0745332
Topological Polar Surface Area42.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity249
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes