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Aromatic building blocks

Hexestrol

Also known as meso-Hexestrol, Hexoestrol, Hexanoestrol

CAS 84-16-2Formula C18H22O2Molar mass 270.37 g/molEC 201-518-1
GHS signal word: Danger. Pictograms: Serious health hazard 24 suppliers listed
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Hexestrol chemical structure, C18H22O2, CAS 84-16-2
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Needles from benzene, thin plates from dil alc
Melting point
185 to 188
Solubility
FREELY SOL IN ETHER, SOL IN ACETONE, ALCOHOL, METHANOL, DILUTE SOLN OF ALKALI HYDROXIDES…
HS code
290729
Category
Aromatic building blocks
Illustrative photo, a shrink wrapped pallet of kraft paper sacks in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Hexestrol?

Plain description, key identifiers and synonyms

Hexestrol is a synthetic hydrogenated derivative of diethylstilbestrol (DES). Hexestrol exhibits strong affinity for estrogen receptors that are overexpressed in some types of cancers. When conjugated with a neoplastic drug, hexestrol may selectively concentrate the cytotoxic agent in estrogen receptor-rich tumors. This agent may also be mutagenic. (NCI04)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(3S,4R)-4-(4-hydroxyphenyl)hexan-3-yl]phenol
CAS number
84-16-2 CAS number cross-checkedOther or deprecated CAS: 5635-50-7
EC numbers
201-518-1, 227-082-2
Molecular formula
C18H22O2
UNII
10BI795R7D
MDL number
MFCD00068996
InChIKey
PBBGSZCBWVPOOL-HDICACEKSA-N
InChI
InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3/t17-,18+
Canonical SMILES
CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1
Isomeric SMILES
CC[C@H](C1=CC=C(C=C1)O)[C@@H](CC)C2=CC=C(C=C2)O

Synonyms

  • meso-Hexestrol
  • Hexoestrol
  • Hexanoestrol
  • Mesohexestrol
  • Erythrohexestrol
  • Hormoestrol
  • Cycloestrol
  • Estronal
  • Hexestrofen
  • Synthovo
  • Syntrogene
  • Estrifar
  • Extra-plex
  • meso-3,4-Di(p-hydroxyphenyl)-n-hexane
  • Dihydrostilbestrol
  • Synoestrolum
  • meso-3,4-Bis(p-hydroxyphenyl)-n-hexane
  • gamma,delta-Di(p-hydroxyphenyl)-hexane
  • Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,S*)-
  • Hexoestrolum
  • Phenol, 4,4'-((1R,2S)-1,2-diethyl-1,2-ethanediyl)bis-, rel-
  • Stilbestrol, dihydro-
  • Hexestrolum
  • 3,4-Bis(p-hydroxyphenyl)hexane
  • Phenol, 4,4'-(1,2-diethylethylene)di-, meso-
Show all 37 synonyms
  • exestrolo
  • 4-((3R,4S)-4-(4-hydroxyphenyl)hexan-3-yl)phenol
  • (R*,S*)-4,4'-(1,2-Diethyl-1,2-ethanediyl)bis(phenol)
  • 4,4'-(1,2-Diethylethylene)diphenol
  • 4-(4-(4-hydroxyphenyl)hexan-3-yl)phenol
  • Exestrol
  • Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-
  • Estra-Plex
  • 4,4'-((3R,4S)-hexane-3,4-diyl)diphenol
  • meso hexestrol
  • Hexron
  • Erythro-hexestrol

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

Appearance
Needles from benzene, thin plates from dil alcexp.
Odour
ODORLESSexp.
Melting point
185 to 188exp.
Solubility
FREELY SOL IN ETHER, SOL IN ACETONE, ALCOHOL, METHANOL, DILUTE SOLN OF ALKALI HYDROXIDES, VEGETABLE OILS UPON SLIGHT WARMING, SLIGHTLY SOL IN BENZENE, CHLOROFORM, PRACTICALLY INSOL IN WATER, DIL MINERAL ACIDSexp.

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
270.37 g/molcalc.
Exact mass
270.162 Dacalc.
LogP (octanol/water)
4.79calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
5calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
2calc.
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, c1ccc(CCc2ccccc2)cc1

c1ccc(CCc2ccccc2)cc1

2 rings, 14 atoms, the Dibenzyl ring system.

2,216 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

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

Hazard statements

  • H350May cause 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

Hexestrol suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 24 suppliers
24 of 24 offers

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

24 suppliers in 8 countries

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Hexestrol price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Veterinary medication:.

Pharmacological actions

  • Antineoplastic Agents, Hormonal
  • Estrogens, Non-Steroidal

How it is made

From anethole hydrogen bromide: campbell et al, proc roy soc b128, 253 (1940)...us patent 2,357,985 (1944)... By reduction of grignard compd with cobaltous chloride: kharasch et al, j am chem soc 65, 491 (1943).

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 Hexestrol 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 Hexestrol is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexestrol, based on the data on this page

What is Hexestrol?

Hexestrol is a synthetic hydrogenated derivative of diethylstilbestrol (DES). Hexestrol exhibits strong affinity for estrogen receptors that are overexpressed in some types of cancers. When conjugated with a neoplastic drug, hexestrol may selectively concentrate the cytotoxic agent in estrogen receptor-rich tumors.

What is the CAS number of Hexestrol?

The CAS registry number of Hexestrol is 84-16-2. Other or deprecated CAS numbers: 5635-50-7.

What is the molecular formula and weight of Hexestrol?

The molecular formula of Hexestrol is C18H22O2 and its molar mass is 270.37 g/mol.

What is Hexestrol used for?

Veterinary medication:.

Is Hexestrol hazardous?

Hexestrol carries the GHS signal word "Danger". Main hazards: may cause cancer. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hexestrol?

Hexestrol 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 Hexestrol?

CompoundList lists 24 suppliers of Hexestrol in United States, China, Germany, Spain and 4 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Hexestrol in India?

1 supplier in India list Hexestrol on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Hexestrol?

Suppliers quote Hexestrol 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 Hexestrol

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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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