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(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,?]nonan-7-yl 2-hydroxy-2,2-bis(thiophen-2-yl)acetate

(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,?]nonan-7-yl 2-hydroxy-2,2-bis(thiophen-2-yl)acetate

CAS: 136310-64-0

Formula: C18H19NO4S2

SMILES: CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(O)(C1=CC=CS1)C1=CC=CS1

IUPAC: (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0²,?]nonan-7-yl 2-hydroxy-2,2-bis(thiophen-2-yl)acetate

InChI: InChI=1S/C18H19NO4S2/c1-19-11-8-10(9-12(19)16-15(11)23-16)22-17(20)18(21,13-4-2-6-24-13)14-5-3-7-25-14/h2-7,10-12,15-16,21H,8-9H2,1H3/t11-,12-,15+,16+/m1/s1

Composition: C (57.28%), H (5.07%), N (3.71%), O (16.95%), S (16.99%)

Molar Mass: 377.47

Atom Count: 44

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 5
Exact Mass 377.075550444
Formal Charge 0
FSP3 0.5
Hetero Ring Count 5
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey VPJFFOQGKSJBAY-FDAWXEHDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.27
Topological Polar Surface Area 62.3
Polarizability 37.14
Ring Count 5
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
96% <7 Days 136310-64-0 $102.47-$378.81$102.47$153.18$378.81
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Purity LeadTime CAS PacketSize UnitPrice
96% <6 Days 136310-64-0 $6.90-$377.20$6.90$232.30$377.20
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