2-Hydroxyestradiol
Also known as 2-OH-Estradiol, 2-hydroxy-17beta-estradiol, 2-Hydroxyestradiol-17beta
Key facts
What buyers check first
- CAS number
- 362-05-0
- Formula
- C18H24O3
- Molar mass
- 288.39 g/mol
- EC number
- 632-218-2
- HS code
- 290729
- Category
- Steroids and sterols
What is 2-Hydroxyestradiol?
Plain description, key identifiers and synonyms
2-hydroxy-17beta-estradiol is a 2-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 2. It has a role as a metabolite, a prodrug, a carcinogenic agent, a mouse metabolite and a human metabolite. It is a 17beta-hydroxy steroid and a 2-hydroxy steroid. It is functionally related to a 17beta-estradiol.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol
- CAS number
- 362-05-0 CAS number cross-checked
- EC number
- 632-218-2
- Molecular formula
- C18H24O3
- UNII
- AYU2L67YUU
- InChIKey
- DILDHNKDVHLEQB-XSSYPUMDSA-N
- InChI
- InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1
- Canonical SMILES
- CC12CCC3c4cc(O)c(O)cc4CCC3C1CCC2O
- Isomeric SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=C(C=C34)O)O
Synonyms
- 2-OH-Estradiol
- 2-hydroxy-17beta-estradiol
- 2-Hydroxyestradiol-17beta
- Estra-1,3,5(10)-triene-2,3,17beta-triol
- (17beta)-Estra-1,3,5(10)-triene-2,3,17-triol
- 2-hydroxyestradiol-17 alpha
- (17 beta)-estra-1,3,5(10)-triene-2,3,17-triol
- 2-hydroxy-estradiol
- 2-Hydroxy-17|A-estradiol
- 2-Hydroxy-17b-estradiol
- ESTRA-1,3,5(10)-TRIENE-2,3,17-beta-TRIOL
- 1,3,5(10)-estratriene-2,3,17Beta-triol
- Estra-1,3,5(10)-triene-2,3,17b-triol
- 2,3,17b-Trihydroxyestra-1,3,5(10)-triene
- 2,3,17beta-Trihydroxy-1,3,5(10)-Estratriene
- (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2,3,17-triol
- ECS
- 2bw7
- 17beta-2-Hydroxyestradiol
- 2-Hydroxy-17?-estradiol
- 4-06-00-07547 (Beilstein Handbook Reference)
- 2-Hydroxyestradiol, >=95% (HPLC)
- 2-Hydroxyestradiol, analytical standard
- (8R,9S,13S,14S,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-2,3,17-triol
- Estra-1,3,5(10)-triene-2,3,17-triol #
Show all 33 synonymsShow fewer synonyms
- Estra-1,5(10)-triene-2,3,17beta-triol
- Estradiol metabolite (2-hydroxyestradiol)
- (17b)-Estra-1,3,5(10)-triene-2,3,17-triol
- Estra-1,3,5 (10)-triene-2,3,17beta-triol
- (17b)-Estra-1,3, 5(10)-triene-2,3,17-triol
- Estra-1,3,5(10)-triene-2,3,17-triol, (17beta)-
- Estra-1,5(10)-triene-2,3,17-triol, (17beta)-
- (17beta)- Estra-1,3, 5 (10)-triene-2,3,17-triol
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 | 288.39 g/molcalc.Computed value |
|---|---|
| Exact mass | 288.1725 Dacalc.Computed value |
| LogP (octanol/water) | 3.31calc.Computed value |
| Topological polar surface area | 60.69 Ųcalc.Computed value |
| Hydrogen bond donors | 3calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 21calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.67calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 5calc.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.
Precautionary statements (5)
- P203Obtain, read and follow all safety instructions before use.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P318If exposed or concerned, get medical advice.
- 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-Hydroxyestradiol suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- United StatesUnclaimed profile2-HydroxyestradiolGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profile2-HydroxyestradiolGrade, purity and minimum order on requestPrice on request
- China, PudongUnclaimed profile2-HydroxyestradiolGrade, purity and minimum order on requestPrice on request
- United States, St. PaulUnclaimed profile2-HydroxyestradiolGrade, purity and minimum order on requestPrice on request
- United States, West ChicagoUnclaimed profile2-HydroxyestradiolGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
5 suppliers in 2 countries
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2-Hydroxyestradiol 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
- aetiopathogenetic role
- animal metabolite
- carcinogenic agent
- eukaryotic metabolite
- human metabolite
- mammalian metabolite
- metabolite
- mouse metabolite
- pharmaceutical
- pro-agent
- prodrug
Pharmacology
2-Hydroxyestradiol is a metabolite formed during the metabolism of 17beta-estradiol by hydroxylation of the carbon at position 2 by the CYP450 enzymes 1A1/1A2. Theoretically, 2-hydroxyestradiol (2-OHE2) is able to undergo redox cycling, which generates active radicals and induces DNA damage, however, this estradiol metabolite is very unstable in vivo and is quickly inactivated by catechol-O-methyltransferase (COMT)-mediated O-methylation and converted to 2-methoxyestradiol (2-MeE2). 2-MeE2 exerts antineoplastic activities through its estrogen receptor antagonistic effect and the induction of apoptosis in susceptible cancer cells.
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-Hydroxyestradiol is traded under.
Polyphenols, phenol-alcohols, other
- United States13.1%
- Japan8.0%
- Belgium7.9%
* Partner reported figures, a lower bound.
The HS code shown for 2-Hydroxyestradiol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about 2-Hydroxyestradiol, based on the data on this page
What is 2-Hydroxyestradiol?
What is the CAS number of 2-Hydroxyestradiol?
What is the molecular formula and weight of 2-Hydroxyestradiol?
What is 2-Hydroxyestradiol used for?
Is 2-Hydroxyestradiol hazardous?
What is the HS code of 2-Hydroxyestradiol?
Where can I buy 2-Hydroxyestradiol?
What is the price of 2-Hydroxyestradiol?
Guides for buyers
Practical guides that help when you source, ship or handle 2-Hydroxyestradiol
- 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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