2-Methoxyestrone
Also known as 3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one, (8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one, 2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one
Key facts
What buyers check first
- CAS number
- 362-08-3
- Formula
- C19H24O3
- Molar mass
- 300.40 g/mol
- EC number
- 206-645-6
- HS code
- 291450
- Category
- Steroids and sterols
What is 2-Methoxyestrone?
Plain description, key identifiers and synonyms
2-methoxyestrone is a 17-oxo steroid that is estrone in which the hydrogen at position 2 has been replaced by a methoxy group. It has a role as a mouse metabolite and a human metabolite. It is a phenolic steroid, a 17-oxo steroid, a member of phenols, an aromatic ether, an alicyclic ketone and a 3-hydroxy steroid. It is functionally related to an estrone.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
- CAS number
- 362-08-3
- EC number
- 206-645-6
- Molecular formula
- C19H24O3
- UNII
- SJ5857RRL3
- InChIKey
- WHEUWNKSCXYKBU-QPWUGHHJSA-N
- InChI
- InChI=1S/C19H24O3/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/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1
- Canonical SMILES
- COc1cc2c(cc1O)CCC1C2CCC2(C)C(=O)CCC12
- Isomeric SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)OC)O
Synonyms
- 3-Hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one
- (8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
- 2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one
- (8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-17-one
- 2-MeOE1
- 2-OMeE1
- 2-MeE1
- (1S,10R,11S,15S)-5-hydroxy-4-methoxy-15-methyltetracyclo(8.7.0.02,7.011,15)heptadeca-2(7),3,5-trien-14-one
- 2-Methoxy Estrone
- 2-Hydroxyestrone 2-methyl ether
- Estrone, 2-methoxy-
- 2-Methoxyestrone?
- 2-Methoxy-3-hydroxyestra-1,3,5(10)-trien-17-one
- 2-Methoxy-17-oxoestra-1,3,5(10)-trien-3-ol
- Estra-1,3,5(10)-trien-17-one,3-hydroxy-2-methoxy-
- 3-hydroxy-2-methoxy-Estra-1,3,5(10)-trien-17-one
- Estra-1,3,5(10)-trien-17-one, 3-hydroxy-2-methoxy-
- methoxy-Estrone
- GSS 33
- 2-methoxy-estrone
- 2-Methoxyestrone, analytical standard
- (3aS,3bR,9bS,11aS)-7-hydroxy-8-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
- 2-Methoxyestrone Solution in Acetonitrile, 100ug/mL
- 3=hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one
- (8R,9S,13S,14S)-3-Hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-cyclopenta[a]phenanthren-17-one
Show all 27 synonymsShow fewer synonyms
- (8R,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
- 2-(8S,9S,13S,14S)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 300.40 g/molcalc.Computed value |
|---|---|
| Exact mass | 300.1725 Dacalc.Computed value |
| LogP (octanol/water) | 3.83calc.Computed value |
| Topological polar surface area | 46.53 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.63calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 4calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H351Suspected of causing cancer.
- H400Very toxic to aquatic life.
- H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (7)
- P203Obtain, read and follow all safety instructions before use.
- P273Avoid release to the environment.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P318If exposed or concerned, get medical advice.
- P391Collect spillage.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aid2-Methoxyestrone suppliers
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2-Methoxyestrone price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- animal metabolite
- eukaryotic metabolite
- human metabolite
- mammalian metabolite
- metabolite
- mouse metabolite
Pharmacology
2-Methoxyestrone is a metabolite formed during the methylation of 2-hydroxyestrone (2-OHE1) by catechol-O-methyltransferase (COMT), with potential anticarcinogenic and minimal estrogen activities. The mechanism of action for the antitumor activity of 2-methoxyestrone (2-OMeE1) is not known. A high 2-methoxyestrone (2-OMeE1)/2-OHE1 ratio indicates higher methylation efficiency and correlates with a lower cancer risk.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code 2-Methoxyestrone is traded under.
Ketone-phenols and ketones with other oxygen function
- China50.5%
- India * partner reported11.6%
- United States11.3%
- United States20.8%
- Germany10.0%
- Netherlands8.6%
* Partner reported figures, a lower bound.
The HS code shown for 2-Methoxyestrone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about 2-Methoxyestrone, based on the data on this page
What is 2-Methoxyestrone?
What is the CAS number of 2-Methoxyestrone?
What is the molecular formula and weight of 2-Methoxyestrone?
What is 2-Methoxyestrone used for?
Is 2-Methoxyestrone hazardous?
What is the HS code of 2-Methoxyestrone?
Where can I buy 2-Methoxyestrone?
What is the price of 2-Methoxyestrone?
Guides for buyers
Practical guides that help when you source, ship or handle 2-Methoxyestrone
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
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