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Steroids and sterols

4-Hydroxyestradiol

Also known as 4-OH-Estradiol, 4-Hydroxyestradiol-17beta, 4-hydroxyestradiol-17 beta

CAS 5976-61-4Formula C18H24O3Molar mass 288.39 g/molEC 637-368-2
GHS signal word: Warning. Pictograms: Serious health hazard 1 supplier listed
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4-Hydroxyestradiol chemical structure, C18H24O3, CAS 5976-61-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5976-61-4
Formula
C18H24O3
Molar mass
288.39 g/mol
EC number
637-368-2
HS code
290729
Category
Steroids and sterols

What is 4-Hydroxyestradiol?

Plain description, key identifiers and synonyms

4-hydroxy-17beta-estradiol is a 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4. It has a role as a metabolite. 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-3,4,17-triol
CAS number
5976-61-4 CAS number cross-checked
EC number
637-368-2
Molecular formula
C18H24O3
UNII
C3ZO03450E
MDL number
MFCD00063335
InChIKey
QOZFCKXEVSGWGS-ZHIYBZGJSA-N
InChI
InChI=1S/C18H24O3/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/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1
Canonical SMILES
CC12CCC3c4ccc(O)c(O)c4CCC3C1CCC2O
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4O)O

Synonyms

  • 4-OH-Estradiol
  • 4-Hydroxyestradiol-17beta
  • 4-hydroxyestradiol-17 beta
  • 3,4,17beta-estriol
  • 4-Hydroxy-17-beta-estradiol
  • (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
  • estra-1,3,5(10)-triene-2,4,17beta-triol
  • 3,4,17beta-trihydroxy-1,3,5[10]-estratriene
  • 1,3,5[10]-Estratriene-3,4,17beta-triol
  • 1,3,5(10)-Estratriene-3,4,17beta-triol
  • estra-1,3,5(10)-triene-3,14,17beta-triol
  • 3,4,17beta-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-3,4,17-triol
  • 4-hydroxy-17beta-estradiol
  • 4-hydroxy-estradiol
  • 4-Hydroxy-17b-estradiol
  • (1S,3aS,3bR,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,6,7-triol
  • 4-hydroxylestradiol
  • 4-hydroxy-17-estradiol
  • 4,17 dihydroxy estradiol
  • 4-Hydroxy-17?-estradiol
  • 4-Hydroxyestradiol, analytical standard
  • Estra-1,3,5(10)-triene-3,4,17beta-triol
  • Estradiol metabolite (4-hydroxyestradiol)
  • (17b)-Estra-1,3,5(10)-triene-3,4,17-triol
Show all 28 synonyms
  • (17beta)-estra-1,3,5(10)-triene-3,4,17-triol
  • ESTRA-1,3,5(10)-TRIENE-3,4,17-beta-TRIOL
  • Estra-1,3,5(10)-triene-3,4,17-triol, (17beta)-

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.
Exact mass
288.1725 Dacalc.
LogP (octanol/water)
3.31calc.
Topological polar surface area
60.69 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
21calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
5calc.
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, c1ccc2c(c1)CCC1C2CCC2CCCC21

c1ccc2c(c1)CCC1C2CCC2CCCC21

4 rings, 17 atoms.

585 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS08: Serious health hazard
Serious health hazard

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 aid

4-Hydroxyestradiol suppliers

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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

1 supplier in 1 country

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4-Hydroxyestradiol 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

  • metabolite

Pharmacology

4-Hydroxyestradiol is a metabolite formed during the metabolism of 17beta-estradiol by hydroxylation of the carbon at position 4 by cytochrome P450 1B1, with potential carcinogenic activity. The mechanism of action for the tumor promoting activity of 4-hydroxyestradiol (4-OHE2) is not entirely known but this metabolite undergoes metabolic redox cycling with its oxidized quinoid form, estradiol 3,4-quinone, and generates reactive oxygen species (ROS), which induce oxidative DNA damage. 4-OHE2 also activates nuclear factor-kappaB (NF-kB) and extracellular signal-regulated kinase/mitogen-activated protein kinase pathways, and induces the expression of certain genes through activation of the estrogen receptor (ER), which stimulates cellular proliferation in susceptible 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 4-Hydroxyestradiol is traded under.

HS 2907.29Indicative HS code

Polyphenols, phenol-alcohols, other

World exports in 2024
$535M
−27.0% vs 2023, imports $565M
2019 to 2024
Top exporters
  1. India * partner reported17.7%
  2. Germany16.5%
  3. Japan15.8%
Top importers
  1. United States13.1%
  2. Japan8.0%
  3. Belgium7.9%

* Partner reported figures, a lower bound.

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

The HS code shown for 4-Hydroxyestradiol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is 4-Hydroxyestradiol?

4-hydroxy-17beta-estradiol is a 4-hydroxy steroid that consists of 17beta-estradiol having an additional hydroxy group at position 4. It has a role as a metabolite. It is functionally related to a 17beta-estradiol.

What is the CAS number of 4-Hydroxyestradiol?

The CAS registry number of 4-Hydroxyestradiol is 5976-61-4.

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

The molecular formula of 4-Hydroxyestradiol is C18H24O3 and its molar mass is 288.39 g/mol.

What is 4-Hydroxyestradiol used for?

Known uses and roles of 4-Hydroxyestradiol include metabolite.

Is 4-Hydroxyestradiol hazardous?

4-Hydroxyestradiol carries the GHS signal word "Warning". Main hazards: suspected of causing cancer. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 4-Hydroxyestradiol?

4-Hydroxyestradiol is usually classified under HS code 290729 (Polyphenols, phenol-alcohols, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4-Hydroxyestradiol?

CompoundList lists 1 supplier of 4-Hydroxyestradiol in China. 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-Hydroxyestradiol?

Suppliers quote 4-Hydroxyestradiol 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-Hydroxyestradiol

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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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