3-ethyl 5-methyl 2,6-bis[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

3-ethyl 5-methyl 2,6-bis[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

CAS: 721958-74-3

Formula: C22H30ClN3O6

SMILES: CCOC(=O)C1=C(COCCN)NC(COCCN)=C(C1C1=C(Cl)C=CC=C1)C(=O)OC

IUPAC: 3-ethyl 5-methyl 2,6-bis[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

InChI: InChI=1/C22H30ClN3O6/c1-3-32-22(28)20-17(13-31-11-9-25)26-16(12-30-10-8-24)19(21(27)29-2)18(20)14-6-4-5-7-15(14)23/h4-7,18,26H,3,8-13,24-25H2,1-2H3

Composition: C (56.47%), H (6.46%), Cl (7.58%), N (8.98%), O (20.51%)

Molar Mass: 467.95

Atom Count: 62

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	467.1823134
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	BHRYCUURXPBYOM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.88
Topological Polar Surface Area	135.13
Polarizability	47.61
Ring Count	2
Rotatable Bond Count	14

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	721958-74-3		$138.72-$1,108.74$138.72$1,108.74