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Screening compounds

Doretinel

Also known as BASF 47011, ORF 20257, RWJ 20257

CAS 104561-36-6Formula C24H30O2Molar mass 350.50 g/mol
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Doretinel chemical structure, C24H30O2, CAS 104561-36-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
104561-36-6
Formula
C24H30O2
Molar mass
350.50 g/mol
HS code
290629
Category
Screening compounds

What is Doretinel?

Plain description, key identifiers and synonyms

Doretinel is a chemical substance with the molecular formula C24H30O2 and a molar mass of 350.50 g/mol. Its CAS registry number is 104561-36-6. The IUPAC name is 7-[(E)-1-[4-(hydroxymethyl)phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
7-[(E)-1-[4-(hydroxymethyl)phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-ol
CAS number
104561-36-6 CAS number cross-checked
Molecular formula
C24H30O2
UNII
G71TK93T5B
InChIKey
AILNZJCWRAWPSD-FOWTUZBSSA-N
InChI
InChI=1S/C24H30O2/c1-16(12-17-6-8-18(15-25)9-7-17)19-10-11-20-21(13-19)24(4,5)22(26)14-23(20,2)3/h6-13,22,25-26H,14-15H2,1-5H3/b16-12+
Canonical SMILES
CC(=Cc1ccc(CO)cc1)c1ccc2c(c1)C(C)(C)C(O)CC2(C)C
Isomeric SMILES
C/C(=C\C1=CC=C(C=C1)CO)/C2=CC3=C(C=C2)C(CC(C3(C)C)O)(C)C

Synonyms

  • BASF 47011
  • ORF 20257
  • RWJ 20257
  • 7-[(E)-1-[4-(hydroxymethyl)phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-ol
  • Doretinelum
  • Doretinel (USAN/INN)
  • p-((E)-2-(5,6,7,8-Tetrahydro-7-hydroxy-5,5,8,8-tetramethyl-2-naphthyl)propenyl)benzyl alcohol
  • 2-Naphthalenol, 1,2,3,4-tetrahydro-7-(2-(4-(hydroxymethyl)phenyl)-1-methylethenyl)-1,1,4,4-tetramethyl-, (E)-
  • 7-{(1E)-1-[4-(Hydroxymethyl)phenyl]prop-1-en-2-yl}-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalen-2-ol

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
350.50 g/molcalc.
Exact mass
350.2246 Dacalc.
LogP (octanol/water)
5.06calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)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, C(=Cc1ccc2c(c1)CCCC2)c1ccccc1

C(=Cc1ccc2c(c1)CCCC2)c1ccccc1

3 rings, 18 atoms.

30 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.

Doretinel suppliers

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Doretinel 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

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 Doretinel is traded under.

HS 2906.29Indicative HS code

Aromatic, other

World exports in 2024
$326M
+13.4% vs 2023, imports $229M
2019 to 2024
Top exporters
  1. China46.3%
  2. Saudi Arabia27.5%
  3. India * partner reported7.7%
Top importers
  1. India * partner reported26.5%
  2. China7.3%
  3. United States6.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Doretinel?

Doretinel is a chemical substance with the molecular formula C24H30O2 and a molar mass of 350.50 g/mol. Its CAS registry number is 104561-36-6. The IUPAC name is 7-[(E)-1-[4-(hydroxymethyl)phenyl]prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalen-2-ol.

What is the CAS number of Doretinel?

The CAS registry number of Doretinel is 104561-36-6.

What is the molecular formula and weight of Doretinel?

The molecular formula of Doretinel is C24H30O2 and its molar mass is 350.50 g/mol.

What is Doretinel used for?

Known uses and roles of Doretinel include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Doretinel hazardous?

No GHS hazard classification for Doretinel 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 Doretinel?

Doretinel is usually classified under HS code 290629 (Aromatic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Doretinel?

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What is the price of Doretinel?

Suppliers quote Doretinel 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 Doretinel

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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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