4-Methoxy-17β-estradiol

CAT: 0024-sc-210108Size: 2.5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-210108Size:2.5 mg

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CAS Number

26788-23-8

Chemical Information

4-Methoxyestradiol

4-methoxy-17beta-estradiol is a 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 4 has been replaced by a methoxy group. It has a role as an estrogen, a human metabolite and a rat metabolite. It is a member of phenols, a 17beta-hydroxy steroid, an aromatic ether and a 3-hydroxy steroid. It is functionally related to a 17beta-estradiol.

CAS Number	26788-23-8
PubChem CID	68578
IUPAC Name	(8R,9S,13S,14S,17S)-4-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Formula	C19H26O3
Molecular Weight	302.4
XLogP	4
Topological Polar Surface Area	49.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	22
Formal Charge	0
Complexity	425

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4OC)O

InChI

InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1

InChIKey

BCWZIZLVBYHFES-PYEWSWHRSA-N

Chemical Structure

2D Structure

CAS: 26788-23-8

CID: 68578

Formula: C19H26O3

MW: 302.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	302.4
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	302.18819469
Monoisotopic Mass	302.18819469
Topological Polar Surface Area	49.7 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	425
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
sc-216917	4-Methoxy-d3-17β-estradiol
sc-482860	2-Methoxy-17α-ethynyl Estradiol
sc-216236	2-Methoxy-d3-17β-estradiol
sc-216227	2-Methoxy-17β-estradiol-16,16,17-d3
sc-210070-CW	4-Hydroxy-17β-estradiol
sc-210070	4-Hydroxy-17β-estradiol
sc-504127	4-Bromo 17β-Estradiol
sc-311043	4-Methoxy-13C, d3-estradiol
sc-496885	17α-Estradiol 17-Valerate
sc-470878	Estradiol 17-Propionate

Alternative Products

Catalog	Name
016222	4-Methoxy 17β-Estradiol
AR-E11111-01	4-Methoxy-17β-estradiol
CS-T-57699	4-Methoxy-d3 17-beta-estradiol
016220	2-Methoxy-d3 17β-Estradiol
TRC-M262633-25MG	4-Methoxy 17beta-Estradiol-16,16,17-d3
016221	2-Methoxy 17β-Estradiol-16,16,17-d3
MBS6066416-01	4-Methoxy 17beta-Estradiol
FM25169-01	4-Methoxy 17b-estradiol
433076-01	4-Methyl-17α-Estradiol
432514-01	4-Formyl-17β-estradiol

4-Methoxy-17β-estradiol

Chemical Information

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