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Lancotrione

CAT: 0931-T32555Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T32555Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1486617-21-3
Target
Others
Related Pathways
Others
Bioactivity
Lancotrione is a bioactive chemical.
Smiles
O=C(C1=CC=C(C(OCCC2OCCO2)=C1Cl)S(=O)(=O)C)C=3C(=O)CCCC3O
Molecular Formula
C19H21ClO8S
Molecular Weight
444.88
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lancotrione
CAS Number1486617-21-3
PubChem CID11612020
IUPAC Name2-[2-chloro-3-[2-(1,3-dioxolan-2-yl)ethoxy]-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione
Molecular FormulaC19H21ClO8S
Molecular Weight444.9
XLogP1.4
Topological Polar Surface Area121
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity724
SMILES
CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)OCCC3OCCO3
InChI
InChI=1S/C19H21ClO8S/c1-29(24,25)14-6-5-11(18(23)16-12(21)3-2-4-13(16)22)17(20)19(14)28-8-7-15-26-9-10-27-15/h5-6,15-16H,2-4,7-10H2,1H3
InChIKey
LCENPEOVNAWOSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lancotrione
CAS: 1486617-21-3
CID: 11612020
Formula: C19H21ClO8S
MW: 444.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.9
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass444.0645665
Monoisotopic Mass444.0645665
Topological Polar Surface Area121 Ų
Heavy Atom Count29
Formal Charge0
Complexity724
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
MBS5782124Lancotrione

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