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Sarolaner

CAT: 0127-BUP05055-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05055-02Size:5 mg
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CAS Number
1398609-39-6
Synonyms
PF-6450567
Purity
=98%
Smiles
CS(=O)(=O)CC(=O)N1CC2(C1)OCc1cc(ccc21)C1=NO[C@@](C1)(c1cc(Cl)c(F)c(Cl)c1)C(F)(F)F

Chemical Information

Sarolaner

Sarolaner is a small molecule drug. Sarolaner has a monoisotopic molecular weight of 580.02 Da.

CAS Number1398609-39-6
PubChem CID73169092
IUPAC Name1-[6-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]spiro[1H-2-benzofuran-3,3'-azetidine]-1'-yl]-2-methylsulfonylethanone
Molecular FormulaC23H18Cl2F4N2O5S
Molecular Weight581.4
XLogP3.4
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity1050
SMILES
CS(=O)(=O)CC(=O)N1CC2(C1)C3=C(CO2)C=C(C=C3)C4=NO[C@@](C4)(C5=CC(=C(C(=C5)Cl)F)Cl)C(F)(F)F
InChI
InChI=1S/C23H18Cl2F4N2O5S/c1-37(33,34)9-19(32)31-10-21(11-31)15-3-2-12(4-13(15)8-35-21)18-7-22(36-30-18,23(27,28)29)14-5-16(24)20(26)17(25)6-14/h2-6H,7-11H2,1H3/t22-/m0/s1
InChIKey
FLEFKKUZMDEUIP-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of Sarolaner
CAS: 1398609-39-6
CID: 73169092
Formula: C23H18Cl2F4N2O5S
MW: 581.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass580.0249609
Monoisotopic Mass580.0249609
Topological Polar Surface Area93.7 Ų
Heavy Atom Count37
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-ZH-34087Sarolaner
A21115-5Sarolaner 5mg
A21115-100Sarolaner 100mg
A21115-50Sarolaner 50mg
A21115-10Sarolaner 10mg
AR-S09961-01Rac-Sarolaner
A21115-25Sarolaner 25mg
A21115-1Sarolaner 1mg
AR-S09960-01Sarolaner Impurity 1
A21115-10mM-DSarolaner 10mM * 1mL in DMSO

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