Products for Research Use Only
RegisterLogin

4-hydroxyestrone-4-methyl ether

CAT: 0931-T9455-01Size: 500 µgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T9455-01Size:500 µg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
58562-33-7
Target
Endogenous Metabolite, Estrogen Receptor/ERR
Related Pathways
Metabolism, Endocrinology/Hormones
Bioactivity
4-hydroxyestrone-4-methyl ether (4-Methoxy Estrone) is the methylation of 4-OHE1, which is catalyzed by COMT.
Smiles
C[C@](CC1)([C@@H](CC2)[C@H](CC3)[C@H]1c(cc1)c3c(OC)c1O)C2=O
Molecular Formula
C19H24O3
Molecular Weight
300.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Methoxyestrone

4-methoxyestrone is a 17-oxo steroid that is estrone in which the hydrogen at position 4 has been replaced by a methoxy group.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

CAS Number58562-33-7
PubChem CID194066
IUPAC Name(8R,9S,13S,14S)-3-hydroxy-4-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Molecular FormulaC19H24O3
Molecular Weight300.4
XLogP3.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity462
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4OC)O
InChI
InChI=1S/C19H24O3/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/h5,7,12-13,15,20H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1
InChIKey
PUEXVLNGOBYUEW-BFDPJXHCSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxyestrone
CAS: 58562-33-7
CID: 194066
Formula: C19H24O3
MW: 300.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass300.17254462
Monoisotopic Mass300.17254462
Topological Polar Surface Area46.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T9454-014-Hydroxyestrone
T131528-014,4'-Dihydroxychalcone, 4-Methyl ether
TN30394-Hydroxyalternariol 9-methyl ether
TN1585Dihydropinosylvin methyl ether
T3008-01Lawsone methyl ether
TN6780-01Carvacrol methyl ether
T22973Resorufin methyl ether
TN7866-01Taccabulin A methyl ether
TN6884-01Thymol methyl ether
T84414-01Albuterol methyl ether

Alternative Products

CatalogName
MBS57863424-hydroxyestrone-4-methyl ether
TRC-H825005-25MG2-Hydroxyestrone-3-methyl Ether
418336-012-Hydroxyestrone-3-methyl Ether-d3
sc-3522312-Hydroxyestrone-3-methyl ether Labeled d3
GTR19227075-014,4'-Dihydroxychalcone, 4-Methyl ether
FD65356Dihydrogenistein 4'-methyl ether
FT65911-01Tricin 4'-methyl ether
TRC-S485045-25MGSimvastatin 4’-Methyl Ether
abx183610-014-Hydroxyphenylethyl methyl ether
sc-460208Simvastatin 4′-Methyl Ether

Popular Products