1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane

1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane

CAS: 191089-59-5

Formula: C33H48N2O6

SMILES: COC1=CC(C=CCCCN2CCCN(CCCC=CC3=CC(OC)=C(OC)C(OC)=C3)CC2)=CC(OC)=C1OC

IUPAC: 1,4-bis[(4E)-5-(3,4,5-trimethoxyphenyl)pent-4-en-1-yl]-1,4-diazepane

InChI: InChI=1S/C33H48N2O6/c1-36-28-22-26(23-29(37-2)32(28)40-5)14-9-7-11-16-34-18-13-19-35(21-20-34)17-12-8-10-15-27-24-30(38-3)33(41-6)31(25-27)39-4/h9-10,14-15,22-25H,7-8,11-13,16-21H2,1-6H3/b14-9+,15-10+

Composition: C (69.69%), H (8.51%), N (4.93%), O (16.88%)

Molar Mass: 568.755

Atom Count: 89

Heavy Atom Count: 41

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	568.351237274
Formal Charge	0
FSP3	0.52
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
InChIKey	JXXCDAKRSXICGM-AOEKMSOUSA-N
Lipinski's Rule of Five
Molar Refractivity	168.26
Topological Polar Surface Area	61.86
Polarizability	64.5
Ring Count	3
Rotatable Bond Count	16

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