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sarolaner

sarolaner

CAS: 1398609-39-6

Formula: C23H18Cl2F4N2O5S

SMILES: CS(=O)(=O)CC(=O)N1CC2(C1)OCC1=C2C=CC(=C1)C1=NO[C@@](C1)(C1=CC(Cl)=C(F)C(Cl)=C1)C(F)(F)F

IUPAC: 1-{5'-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3'H-spiro[azetidine-3,1'-[2]benzofuran]-1-yl}-2-methanesulfonylethan-1-one

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

Composition: C (47.52%), H (3.12%), Cl (12.20%), F (13.07%), N (4.82%), O (13.76%), S (5.51%)

Molar Mass: 581.36

Atom Count: 55

Heavy Atom Count: 37

Properties
Properties
Common Names sarolaner
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 580.0249609
Formal Charge 0
FSP3 0.39
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 0
InChIKey FLEFKKUZMDEUIP-QFIPXVFZSA-N
Lipinski's Rule of Five
Molar Refractivity 126.08
Topological Polar Surface Area 85.27
Polarizability 48.66
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
99.05% <7 Days 1398609-39-6 $121.55-$1,122.00$121.55$205.70$430.10$701.25$1,122.00
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Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 1398609-39-6 $71.85-$1,064.04$71.85$103.19$174.28$367.68$601.58$1,064.04
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