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Cudetaxestat

CAT: 0607-BA8167-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8167-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1782070-21-6
Form
A solid
Molecular Formula
C21H15Cl2F2N3O2S
Molecular Weight
482.33
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Cudetaxestat
CAS Number1782070-21-6
PubChem CID91809202
IUPAC Name3-[2,6-dichloro-7-fluoro-1-(1-propylpyrazol-4-yl)indol-3-yl]sulfanyl-2-fluorobenzoic acid
Molecular FormulaC21H15Cl2F2N3O2S
Molecular Weight482.3
XLogP6.2
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity654
SMILES
CCCN1C=C(C=N1)N2C3=C(C=CC(=C3F)Cl)C(=C2Cl)SC4=CC=CC(=C4F)C(=O)O
InChI
InChI=1S/C21H15Cl2F2N3O2S/c1-2-8-27-10-11(9-26-27)28-18-13(6-7-14(22)17(18)25)19(20(28)23)31-15-5-3-4-12(16(15)24)21(29)30/h3-7,9-10H,2,8H2,1H3,(H,29,30)
InChIKey
NMDFAQXLJQRHMS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cudetaxestat
CAS: 1782070-21-6
CID: 91809202
Formula: C21H15Cl2F2N3O2S
MW: 482.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.3
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass481.0230096
Monoisotopic Mass481.0230096
Topological Polar Surface Area85.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity654
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
M35705-01Cudetaxestat

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