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(2S)-1-(tert-butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazine-2-carboxylic acid

(2S)-1-(tert-butoxycarbonyl)-4-[(9H-fluoren-9-ylmethoxy)carbonyl]piperazine-2-carboxylic acid

CAS: 1034574-30-5

Formula: C25H28N2O6

SMILES: CC(C)(C)OC(=O)N1CCN(C[C@H]1C(O)=O)C(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-1-[(tert-butoxy)carbonyl]-4-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazine-2-carboxylic acid

InChI: InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-12-26(14-21(27)22(28)29)23(30)32-15-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,20-21H,12-15H2,1-3H3,(H,28,29)/t21-/m0/s1

Composition: C (66.36%), H (6.24%), N (6.19%), O (21.21%)

Molar Mass: 452.507

Atom Count: 61

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 452.19473663
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ZVHNNCSUTNWKFC-NRFANRHFSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.48
Topological Polar Surface Area 96.38
Polarizability 48.07
Ring Count 4
Rotatable Bond Count 6

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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1034574-30-5 $51.35-$2,435.18$51.35$63.37$86.31$180.26$686.09$2,435.18
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Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1034574-30-5 $18.92-$460.27$18.92$40.35$113.49$460.27
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