2-(2-{[3-ethoxy-5-iodo-4-(prop-2-yn-1-yloxy)phenyl]methyl}diazen-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

2-(2-{[3-ethoxy-5-iodo-4-(prop-2-yn-1-yloxy)phenyl]methyl}diazen-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

Formula: C21H21IN4O3

SMILES: CCOC1=CC(CN=NC2=NC(C)=CC(COC)=C2C#N)=CC(I)=C1OCC#C

IUPAC: 2-(2-{[3-ethoxy-5-iodo-4-(prop-2-yn-1-yloxy)phenyl]methyl}diazen-1-yl)-4-(methoxymethyl)-6-methylpyridine-3-carbonitrile

InChI: InChI=1S/C21H21IN4O3/c1-5-7-29-20-18(22)9-15(10-19(20)28-6-2)12-24-26-21-17(11-23)16(13-27-4)8-14(3)25-21/h1,8-10H,6-7,12-13H2,2-4H3

Composition: C (50.01%), H (4.20%), I (25.16%), N (11.11%), O (9.52%)

Molar Mass: 504.328

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	504.06584
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
InChIKey	UUXGQUKOVCLJAR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	121.85
Topological Polar Surface Area	89.09
Polarizability	45.12
Ring Count	2
Rotatable Bond Count	9

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H21IN4O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00