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tert-butyl (3S)-5-methoxy-3-{[(R)-2-methylpropane-2-sulfinyl]amino}-1,3-dihydrospiro[indene-2,4'-piperidine]-1'-carboxylate

tert-butyl (3S)-5-methoxy-3-{[(R)-2-methylpropane-2-sulfinyl]amino}-1,3-dihydrospiro[indene-2,4'-piperidine]-1'-carboxylate

CAS: 2245085-54-3

Formula: C23H36N2O4S

SMILES: COC1=CC=C2CC3(CCN(CC3)C(=O)OC(C)(C)C)[C@H](N[S@](=O)C(C)(C)C)C2=C1

IUPAC: tert-butyl (3S)-5-methoxy-3-{[(R)-2-methylpropane-2-sulfinyl]amino}-1,3-dihydrospiro[indene-2,4'-piperidine]-1'-carboxylate

InChI: InChI=1S/C23H36N2O4S/c1-21(2,3)29-20(26)25-12-10-23(11-13-25)15-16-8-9-17(28-7)14-18(16)19(23)24-30(27)22(4,5)6/h8-9,14,19,24H,10-13,15H2,1-7H3/t19-,30-/m1/s1

Composition: C (63.27%), H (8.31%), N (6.42%), O (14.66%), S (7.34%)

Molar Mass: 436.61

Atom Count: 66

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 436.239578821
Formal Charge 0
FSP3 0.7
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey HKBIALNUFWUEHZ-HZAQMHFWSA-N
Lipinski's Rule of Five 1
Molar Refractivity 119.45
Topological Polar Surface Area 67.87
Polarizability 47.51
Ring Count 3
Rotatable Bond Count 5

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Purity (%)
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J&W PHARMLAB LLC
Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 2245085-54-3 $342.70-$7,912.00$342.70$457.70$687.70$1,147.70$2,162.00$7,912.00
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