7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-[3-(trifluoromethoxy)phenoxy]purine-2,6-dione

7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-[3-(trifluoromethoxy)phenoxy]purine-2,6-dione

CAS: 1628287-16-0

Formula: C23H20ClF3N4O5

SMILES: CN1C2=C(N(CC3=CC=C(Cl)C=C3)C(OC3=CC=CC(OC(F)(F)F)=C3)=N2)C(=O)N(CCCO)C1=O

IUPAC: 7-[(4-chlorophenyl)methyl]-1-(3-hydroxypropyl)-3-methyl-8-[3-(trifluoromethoxy)phenoxy]-2,3,6,7-tetrahydro-1H-purine-2,6-dione

InChI: InChI=1S/C23H20ClF3N4O5/c1-29-19-18(20(33)30(22(29)34)10-3-11-32)31(13-14-6-8-15(24)9-7-14)21(28-19)35-16-4-2-5-17(12-16)36-23(25,26)27/h2,4-9,12,32H,3,10-11,13H2,1H3

Composition: C (52.63%), H (3.84%), Cl (6.75%), F (10.86%), N (10.67%), O (15.24%)

Molar Mass: 524.88

Atom Count: 56

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	524.1074319
Formal Charge	0
FSP3	0.26
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	PRJHEJGMSOBHTO-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	119.19
Topological Polar Surface Area	97.13
Polarizability	45.88
Ring Count	4
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98.62%	<7 Days	1628287-16-0		$327.25-$2,571.25$327.25$514.25$1,028.50$1,636.25$2,571.25