methyl 2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-ylsulfonyl)phenyl]acetate

methyl 2-[4,5-dimethoxy-2-(4-phenylpiperazin-1-ylsulfonyl)phenyl]acetate

CAS: 497060-58-9

Formula: C21H26N2O6S

SMILES: COC(=O)CC1=C(C=C(OC)C(OC)=C1)S(=O)(=O)N1CCN(CC1)C1=CC=CC=C1

IUPAC: methyl 2-{4,5-dimethoxy-2-[(4-phenylpiperazin-1-yl)sulfonyl]phenyl}acetate

InChI: InChI=1S/C21H26N2O6S/c1-27-18-13-16(14-21(24)29-3)20(15-19(18)28-2)30(25,26)23-11-9-22(10-12-23)17-7-5-4-6-8-17/h4-8,13,15H,9-12,14H2,1-3H3

Composition: C (58.05%), H (6.03%), N (6.45%), O (22.09%), S (7.38%)

Molar Mass: 434.51

Atom Count: 56

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	434.151157739
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	GMCDNVSDZHKEPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.56
Topological Polar Surface Area	85.38
Polarizability	44.34
Ring Count	3
Rotatable Bond Count	7

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	497060-58-9		$51.35-$86.31$51.35$63.37$86.31