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Screening compounds

Ciladopa

Also known as Ciladopum, AY-27110 FREE BASE, 2,4,6-Cycloheptatrien-1-one, 2-(4-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-1-piperazinyl)-, (S)-

CAS 80109-27-9Formula C21H26N2O4Molar mass 370.45 g/mol
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Ciladopa chemical structure, C21H26N2O4, CAS 80109-27-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
80109-27-9
Formula
C21H26N2O4
Molar mass
370.45 g/mol
HS code
293359
Category
Screening compounds

What is Ciladopa?

Plain description, key identifiers and synonyms

Ciladopa is a chemical substance with the molecular formula C21H26N2O4 and a molar mass of 370.45 g/mol. Its CAS registry number is 80109-27-9. The IUPAC name is 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
CAS number
80109-27-9 CAS number cross-checked
Molecular formula
C21H26N2O4
UNII
D09L486R3J
InChIKey
SGEKLKJQLHJVDK-LJQANCHMSA-N
InChI
InChI=1S/C21H26N2O4/c1-26-20-9-8-16(14-21(20)27-2)19(25)15-22-10-12-23(13-11-22)17-6-4-3-5-7-18(17)24/h3-9,14,19,25H,10-13,15H2,1-2H3/t19-/m1/s1
Canonical SMILES
COc1ccc(C(O)CN2CCN(c3cccccc3=O)CC2)cc1OC
Isomeric SMILES
COC1=C(C=C(C=C1)[C@@H](CN2CCN(CC2)C3=CC=CC=CC3=O)O)OC

Synonyms

  • Ciladopum
  • AY-27110 FREE BASE
  • 2,4,6-Cycloheptatrien-1-one, 2-(4-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-1-piperazinyl)-, (S)-
  • 2-(4-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)-1-piperazinyl)-2,4,6-cycloheptatrien-1-one
  • 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
  • (-)-(S)-2-(4-(beta-hydroxy-3,4-dimethoxyphenethyl)-1-piperazinyl)-2,4,6-cycloheptatrien-1-one
  • 2-{4-[(2S)-2-(3,4-Dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl}-2,4,6-cycloheptatrien-1-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
370.45 g/molcalc.
Exact mass
370.1893 Dacalc.
LogP (octanol/water)
1.92calc.
Topological polar surface area
62.24 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
1calc.
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=c1cccccc1N1CCN(CCc2ccccc2)CC1

O=c1cccccc1N1CCN(CCc2ccccc2)CC1

3 rings, 22 atoms.

1 other chemical 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.

Ciladopa suppliers

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Ciladopa 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 Ciladopa is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ciladopa?

Ciladopa is a chemical substance with the molecular formula C21H26N2O4 and a molar mass of 370.45 g/mol. Its CAS registry number is 80109-27-9. The IUPAC name is 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one.

What is the CAS number of Ciladopa?

The CAS registry number of Ciladopa is 80109-27-9.

What is the molecular formula and weight of Ciladopa?

The molecular formula of Ciladopa is C21H26N2O4 and its molar mass is 370.45 g/mol.

What is Ciladopa used for?

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

Is Ciladopa hazardous?

No GHS hazard classification for Ciladopa 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 Ciladopa?

Ciladopa is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ciladopa?

Post a free request on CompoundList and suppliers of Ciladopa will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ciladopa?

Suppliers quote Ciladopa 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 Ciladopa

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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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