4-(2,4-difluorophenoxy)-5-(4-methylbenzenesulfonyl)-2-phenylpyrimidine

4-(2,4-difluorophenoxy)-5-(4-methylbenzenesulfonyl)-2-phenylpyrimidine

CAS: 478247-31-3

Formula: C23H16F2N2O3S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)C1=C(OC2=C(F)C=C(F)C=C2)N=C(N=C1)C1=CC=CC=C1

IUPAC: 4-(2,4-difluorophenoxy)-5-(4-methylbenzenesulfonyl)-2-phenylpyrimidine

InChI: InChI=1S/C23H16F2N2O3S/c1-15-7-10-18(11-8-15)31(28,29)21-14-26-22(16-5-3-2-4-6-16)27-23(21)30-20-12-9-17(24)13-19(20)25/h2-14H,1H3

Composition: C (63.01%), H (3.68%), F (8.67%), N (6.39%), O (10.95%), S (7.31%)

Molar Mass: 438.45

Atom Count: 47

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	438.084969883
Formal Charge	0
FSP3	0.04
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	HGLMYAHEVPCNAR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	123.69
Topological Polar Surface Area	69.15
Polarizability	44.3
Ring Count	4
Rotatable Bond Count	5

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	478247-31-3		$51.35-$86.31$51.35$63.37$86.31