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Karbin

CAT: 0013-GTR19194150Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194150Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Karbin is a bioactive small molecule compound utilized in biochemical research. It serves as a tool compound for investigating cellular pathways and has been employed in both in vitro enzymatic assays and in vivo model studies of metabolic regulation.
CAS Number
3240-85-5
Smiles
O=C (OC (C) CCCl) NC=1C=CC=C (Cl) C1
Molecular Formula
C11H13Cl2NO2
Molecular Weight
262.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Karbin
CAS Number3240-85-5
PubChem CID6451527
IUPAC Name4-chlorobutan-2-yl N-(3-chlorophenyl)carbamate
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.13
XLogP4.1
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count16
Formal Charge0
Complexity226
SMILES
CC(CCCl)OC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H13Cl2NO2/c1-8(5-6-12)16-11(15)14-10-4-2-3-9(13)7-10/h2-4,7-8H,5-6H2,1H3,(H,14,15)
InChIKey
KSKYPNHTIPUWNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Karbin
CAS: 3240-85-5
CID: 6451527
Formula: C11H13Cl2NO2
MW: 262.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.13
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass261.0323340
Monoisotopic Mass261.0323340
Topological Polar Surface Area38.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity226
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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