omipalisib

omipalisib

CAS: 1086062-66-9

Formula: C25H17F2N5O3S

SMILES: COC1=NC=C(C=C1NS(=O)(=O)C1=CC=C(F)C=C1F)C1=CC2=C(C=CN=C2C=C1)C1=CN=NC=C1

IUPAC: 2,4-difluoro-N-{2-methoxy-5-[4-(pyridazin-4-yl)quinolin-6-yl]pyridin-3-yl}benzene-1-sulfonamide

InChI: InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3

Composition: C (59.40%), H (3.39%), F (7.52%), N (13.85%), O (9.49%), S (6.34%)

Molar Mass: 505.5

Atom Count: 53

Heavy Atom Count: 36

Properties

Properties

Common Names	omipalisib
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	505.102016927
Formal Charge	0
FSP3	0.04
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
InChIKey	CGBJSGAELGCMKE-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.84
Topological Polar Surface Area	106.96
Polarizability	52.81
Ring Count	5
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.93%	<7 Days	1086062-66-9		$67.32-$341.28$67.32$113.14$341.28