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9H-fluoren-9-ylmethyl N-[(2R)-1-[(acetamidomethyl)sulfanyl]-3-hydroxypropan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2R)-1-[(acetamidomethyl)sulfanyl]-3-hydroxypropan-2-yl]carbamate

CAS: 198543-46-3

Formula: C21H24N2O4S

SMILES: CC(=O)NCSC[C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (9H-fluoren-9-yl)methyl N-[(2R)-1-[(acetamidomethyl)sulfanyl]-3-hydroxypropan-2-yl]carbamate

InChI: InChI=1S/C21H24N2O4S/c1-14(25)22-13-28-12-15(10-24)23-21(26)27-11-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,15,20,24H,10-13H2,1H3,(H,22,25)(H,23,26)/t15-/m1/s1

Composition: C (62.98%), H (6.04%), N (6.99%), O (15.98%), S (8.01%)

Molar Mass: 400.49

Atom Count: 52

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 400.145678435
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey ILFFSHOJZXAWJQ-OAHLLOKOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 109.62
Topological Polar Surface Area 87.66
Polarizability 43.9
Ring Count 3
Rotatable Bond Count 9

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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 198543-46-3 $298.08-$2,753.10$298.08$888.03$2,753.10
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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 198543-46-3 $164.45-$1,942.35$164.45$591.10$1,942.35
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