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N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yloxy]quinazolin-4-amine

N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yloxy]quinazolin-4-amine

CAS: 2230836-55-0

Formula: C23H25F3N4O3

SMILES: COC1=CC2=NC(C)=NC(N[C@H](C)C3=CC(=CC(N)=C3)C(F)(F)F)=C2C=C1O[C@H]1CCOC1

IUPAC: N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3S)-oxolan-3-yloxy]quinazolin-4-amine

InChI: InChI=1S/C23H25F3N4O3/c1-12(14-6-15(23(24,25)26)8-16(27)7-14)28-22-18-9-21(33-17-4-5-32-11-17)20(31-3)10-19(18)29-13(2)30-22/h6-10,12,17H,4-5,11,27H2,1-3H3,(H,28,29,30)/t12-,17+/m1/s1

Composition: C (59.73%), H (5.45%), F (12.32%), N (12.11%), O (10.38%)

Molar Mass: 462.473

Atom Count: 58

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 2
Exact Mass 462.18787517
Formal Charge 0
FSP3 0.39
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey XVFDNRYZXDHTHT-PXAZEXFGSA-N
Lipinski's Rule of Five 1
Molar Refractivity 120.17
Topological Polar Surface Area 91.52
Polarizability 44.9
Ring Count 4
Rotatable Bond Count 7

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Purity LeadTime CAS UnitPrice
98% <10 Days 2230836-55-0 Quote Only
Selleck Chemicals
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98% <10 Days 2230836-55-0 Quote Only
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 2230836-55-0 $237.73-$2,355.12$237.73$439.53$671.91$1,346.87$2,355.12
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