3-{[3,5-bis(trifluoromethyl)phenyl]amino}-4-{[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino}cyclobut-3-ene-1,2-dione

3-{[3,5-bis(trifluoromethyl)phenyl]amino}-4-{[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino}cyclobut-3-ene-1,2-dione

CAS: 1223105-89-2

Formula: C28H23F6N3O2

SMILES: CN(C)[C@@H]([C@H](NC1=C(NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)C1=O)C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: 3-{[3,5-bis(trifluoromethyl)phenyl]amino}-4-{[(1R,2R)-2-(dimethylamino)-1,2-diphenylethyl]amino}cyclobut-3-ene-1,2-dione

InChI: InChI=1S/C28H23F6N3O2/c1-37(2)24(17-11-7-4-8-12-17)21(16-9-5-3-6-10-16)36-23-22(25(38)26(23)39)35-20-14-18(27(29,30)31)13-19(15-20)28(32,33)34/h3-15,21,24,35-36H,1-2H3/t21-,24-/m1/s1

Composition: C (61.43%), H (4.23%), F (20.82%), N (7.68%), O (5.84%)

Molar Mass: 547.501

Atom Count: 62

Heavy Atom Count: 39

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	547.169445971
Formal Charge	0
FSP3	0.21
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	SQPFGTYBBLELED-ZJSXRUAMSA-N
Lipinski's Rule of Five
Molar Refractivity	137.75
Topological Polar Surface Area	61.44
Polarizability	49.35
Ring Count	4
Rotatable Bond Count	10

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	1223105-89-2		Quote Only

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	1223105-89-2		$70.38-$572.36$70.38$74.52$572.36

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
%	<6 Days	1223105-89-2		$184.00$184.00