2-methoxyestradiol

2-methoxyestradiol

CAS: 362-07-2

Formula: C19H26O3

SMILES: [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(O)C(OC)=C3

IUPAC: (1S,3aS,3bR,9bS,11aS)-8-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol

InChI: InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13-,15+,18+,19-/m1/s1

Composition: C (75.46%), H (8.67%), O (15.87%)

Molar Mass: 302.414

Atom Count: 48

Heavy Atom Count: 22

Properties

Properties

Common Names	2-methoxyestradiol; 2-methoxyestradiol-17β; panzem
Aromatic Ring Count	1
Asymmetric Atom Count	5
Exact Mass	302.188194697
Formal Charge	0
FSP3	0.68
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CQOQDQWUFQDJMK-SSTWWWIQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.37
Topological Polar Surface Area	49.69
Polarizability	33.82
Ring Count	4
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.82%	<7 Days	362-07-2		$23.38-$65.45$23.38$28.05$56.10$65.45