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Impurities and reference standards

4-Hydroxyestrone

Also known as 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one, 3,4-dihydroxy-1,3,5(10)-estratrien-17-one, Estra-1,3,5(10)-trien-17-one, 3,4-dihydroxy-

CAS 3131-23-5Formula C18H22O3Molar mass 286.37 g/mol
1 supplier listed
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4-Hydroxyestrone chemical structure, C18H22O3, CAS 3131-23-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3131-23-5
Formula
C18H22O3
Molar mass
286.37 g/mol
HS code
293723
Category
Impurities and reference standards

What is 4-Hydroxyestrone?

Plain description, key identifiers and synonyms

4-hydroxyestrone is a 4-hydroxy steroid that is estrone substituted by a hydroxy group at position 4. It has a role as an estrogen, a carcinogenic agent and a human urinary metabolite. It is a phenolic steroid, a 17-oxo steroid, a member of catechols, a 3-hydroxy steroid and a 4-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)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CAS number
3131-23-5 CAS number cross-checked
Molecular formula
C18H22O3
UNII
3MN57C55S2
MDL number
MFCD00079358
InChIKey
XQZVQQZZOVBNLU-QDTBLXIISA-N
InChI
InChI=1S/C18H22O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,19,21H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
Canonical SMILES
CC12CCC3c4ccc(O)c(O)c4CCC3C1CCC2=O
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4O)O

Synonyms

  • 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one
  • 3,4-dihydroxy-1,3,5(10)-estratrien-17-one
  • Estra-1,3,5(10)-trien-17-one, 3,4-dihydroxy-
  • (15R)-5,6-dihydroxy-15-methyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadeca-2,4,6-trien-14-one
  • 4-OHE(1)
  • 4-Hydroxy Estrone
  • (8R,9S,13S,14S)-3,4-Dihydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
  • (8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
  • 3,4-dihydroxy-estra-1,3,5(10)-trien-17-one
  • Estrone Impurity 4
  • 1,3,5(10)-Estratriene-3,4-diol-17-one
  • estra-1,3,5(10)-triene-3,4-diol-17-one
  • 4-Hydroxyestrone, >=90% (HPLC)
  • 4-Hydroxyestrone 100 microg/mL in Acetonitrile
  • 4-Hydroxyestrone Solution in Acetonitrile, 100ug/mL
  • 4-Hydroxyestrone, (8R,9S,13S,14S)-3,4-dihydroxy-13-methyl-6,7,8,9,11,12,13,14,15,16-decahydro-17H-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
286.37 g/molcalc.
Exact mass
286.1569 Dacalc.
LogP (octanol/water)
3.52calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
21calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CCC2C1CCC1c3ccccc3CCC12

O=C1CCC2C1CCC1c3ccccc3CCC12

4 rings, 18 atoms.

176 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

4-Hydroxyestrone suppliers

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  • Veeprho
    Czech Republic, Czech RepublicUnclaimed profile
    4-HydroxyestroneGrade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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4-Hydroxyestrone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • aetiopathogenetic role
  • agonist
  • animal metabolite
  • carcinogenic agent
  • estrogen
  • eukaryotic metabolite
  • hormone
  • human metabolite
  • human urinary metabolite
  • mammalian metabolite
  • metabolite
  • molecular messenger
  • sex hormone

Pharmacology

4-Hydroxyestrone is a metabolite formed during the catabolism of estrone by the liver through the hydroxylation of the carbon at position 4 by cytochrome P450 (CYP) family enzymes, with potential carcinogenic activity. The mechanism of action for the tumor promoting activity of 4-hydroxyestrone is not known but this metabolic product has increased estrogenic activity compared to the parent compound. Additionally, oxidation of 4-hydroxyestrone generates compounds with free radicals that are capable of removing purines from DNA, which can cause mutagenesis and can lead to tumorigenesis.

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 4-Hydroxyestrone is traded under.

HS 2937.23Indicative HS code

Oestrogens and progestogens

World exports in 2024
$762M
−2.3% vs 2023, imports $693M
2019 to 2024
Top exporters
  1. China42.9%
  2. Italy18.4%
  3. Netherlands8.9%
Top importers
  1. India * partner reported12.1%
  2. United States11.0%
  3. Belgium8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 4-Hydroxyestrone is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-Hydroxyestrone, based on the data on this page

What is 4-Hydroxyestrone?

4-hydroxyestrone is a 4-hydroxy steroid that is estrone substituted by a hydroxy group at position 4. It has a role as an estrogen, a carcinogenic agent and a human urinary metabolite. It is a phenolic steroid, a 17-oxo steroid, a member of catechols, a 3-hydroxy steroid and a 4-hydroxy steroid.

What is the CAS number of 4-Hydroxyestrone?

The CAS registry number of 4-Hydroxyestrone is 3131-23-5.

What is the molecular formula and weight of 4-Hydroxyestrone?

The molecular formula of 4-Hydroxyestrone is C18H22O3 and its molar mass is 286.37 g/mol.

What is 4-Hydroxyestrone used for?

Known uses and roles of 4-Hydroxyestrone include aetiopathogenetic role, agonist, animal metabolite, carcinogenic agent, estrogen and 8 more.

Is 4-Hydroxyestrone hazardous?

No GHS hazard classification for 4-Hydroxyestrone is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 4-Hydroxyestrone?

4-Hydroxyestrone is usually classified under HS code 293723 (Oestrogens and progestogens). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4-Hydroxyestrone?

CompoundList lists 1 supplier of 4-Hydroxyestrone in Czech Republic. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of 4-Hydroxyestrone?

Suppliers quote 4-Hydroxyestrone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 4-Hydroxyestrone

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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