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Screening compounds

Vilazodone methyl ester

Also known as Methyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate, 2-Benzofurancarboxylic acid, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-, methyl ester, Methyl 5-[4-[4-(5-cyanoindol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxylate

CAS 1236722-93-2Formula C27H28N4O3Molar mass 456.55 g/mol
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Vilazodone methyl ester chemical structure, C27H28N4O3, CAS 1236722-93-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1236722-93-2
Formula
C27H28N4O3
Molar mass
456.55 g/mol
HS code
293499
Category
Screening compounds

What is Vilazodone methyl ester?

Plain description, key identifiers and synonyms

Vilazodone methyl ester is a chemical substance with the molecular formula C27H28N4O3 and a molar mass of 456.55 g/mol. Its CAS registry number is 1236722-93-2. The IUPAC name is methyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate
CAS number
1236722-93-2
Molecular formula
C27H28N4O3
UNII
GHJ8AFU2T2
InChIKey
NAXYPJOGTVVGFR-UHFFFAOYSA-N
InChI
InChI=1S/C27H28N4O3/c1-33-27(32)26-16-21-15-22(6-8-25(21)34-26)31-12-10-30(11-13-31)9-3-2-4-20-18-29-24-7-5-19(17-28)14-23(20)24/h5-8,14-16,18,29H,2-4,9-13H2,1H3
SMILES (canonical and isomeric)
COC(=O)C1=CC2=C(O1)C=CC(=C2)N3CCN(CC3)CCCCC4=CNC5=C4C=C(C=C5)C#N

Synonyms

  • Methyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate
  • 2-Benzofurancarboxylic acid, 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)-1-piperazinyl)-, methyl ester
  • Methyl 5-[4-[4-(5-cyanoindol-3-yl)butyl]piperazin-1-yl]benzofuran-2-carboxylate

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
456.55 g/molcalc.
Exact mass
456.2161 Dacalc.
LogP (octanol/water)
4.72calc.
Topological polar surface area
85.5 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
34calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
0calc.
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(CCCCN3CCN(c4ccc5occc5c4)CC3)c[nH]c2c1

c1ccc2c(CCCCN3CCN(c4ccc5occc5c4)CC3)c[nH]c2c1

5 rings, 28 atoms.

15 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.

Vilazodone methyl ester suppliers

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Vilazodone methyl ester 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 Vilazodone methyl ester is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Vilazodone methyl ester, based on the data on this page

What is Vilazodone methyl ester?

Vilazodone methyl ester is a chemical substance with the molecular formula C27H28N4O3 and a molar mass of 456.55 g/mol. Its CAS registry number is 1236722-93-2. The IUPAC name is methyl 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylate.

What is the CAS number of Vilazodone methyl ester?

The CAS registry number of Vilazodone methyl ester is 1236722-93-2.

What is the molecular formula and weight of Vilazodone methyl ester?

The molecular formula of Vilazodone methyl ester is C27H28N4O3 and its molar mass is 456.55 g/mol.

What is Vilazodone methyl ester used for?

Known uses and roles of Vilazodone methyl ester include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Vilazodone methyl ester hazardous?

No GHS hazard classification for Vilazodone methyl ester 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 Vilazodone methyl ester?

Vilazodone methyl ester is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vilazodone methyl ester?

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

What is the price of Vilazodone methyl ester?

Suppliers quote Vilazodone methyl ester 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 Vilazodone methyl ester

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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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