CompoundList
Sign in
Heterocyclic building blocks

Bouchardatine

Also known as 2-(4-Oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde, 2-(4-oxo-1H-quinazolin-2-yl)-1H-indole-3-carbaldehyde, 2-(4-Oxo-3,4-dihydroquinazolin-2-yl)-1H-indole-3-carbaldehyde

CAS 623903-29-7Formula C17H11N3O2Molar mass 289.29 g/mol
Get quotes Safety data
Bouchardatine chemical structure, C17H11N3O2, CAS 623903-29-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
623903-29-7
Formula
C17H11N3O2
Molar mass
289.29 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is Bouchardatine?

Plain description, key identifiers and synonyms

Bouchardatine has been reported in Bouchardatia neurococca.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(4-oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde
CAS number
623903-29-7
Molecular formula
C17H11N3O2
InChIKey
ZDTNFKKWSCJPNF-UHFFFAOYSA-N
InChI
InChI=1S/C17H11N3O2/c21-9-12-10-5-1-3-7-13(10)18-15(12)16-19-14-8-4-2-6-11(14)17(22)20-16/h1-9,18H,(H,19,20,22)
SMILES (canonical and isomeric)
C1=CC=C2C(=C1)C(=C(N2)C3=NC4=CC=CC=C4C(=O)N3)C=O

Synonyms

  • 2-(4-Oxo-3H-quinazolin-2-yl)-1H-indole-3-carbaldehyde
  • 2-(4-oxo-1H-quinazolin-2-yl)-1H-indole-3-carbaldehyde
  • 2-(4-Oxo-3,4-dihydroquinazolin-2-yl)-1H-indole-3-carbaldehyde

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
289.29 g/molcalc.
Exact mass
289.0851 Dacalc.
LogP (octanol/water)
2.88calc.
Topological polar surface area
78.61 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
22calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0calc.
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, O=c1[nH]c(-c2cc3ccccc3[nH]2)nc2ccccc12

O=c1[nH]c(-c2cc3ccccc3[nH]2)nc2ccccc12

4 rings, 20 atoms, the 2-(1H-Indol-2-yl)quinazolin-4(1H)-one ring system.

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.

Bouchardatine suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Bouchardatine can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Bouchardatine 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.

Get latest price

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

Frequently asked questions

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

What is Bouchardatine?

Bouchardatine has been reported in Bouchardatia neurococca.

What is the CAS number of Bouchardatine?

The CAS registry number of Bouchardatine is 623903-29-7.

What is the molecular formula and weight of Bouchardatine?

The molecular formula of Bouchardatine is C17H11N3O2 and its molar mass is 289.29 g/mol.

What is Bouchardatine used for?

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

Is Bouchardatine hazardous?

No GHS hazard classification for Bouchardatine 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 Bouchardatine?

Bouchardatine 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 Bouchardatine?

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

What is the price of Bouchardatine?

Suppliers quote Bouchardatine 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 Bouchardatine

Get quotes for Bouchardatine

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Bouchardatine
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Bouchardatine with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/bouchardatine-623903-29-7" title="Bouchardatine structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Heterocyclic building blocks or HS code 293359

Price on request
Free quotes, contact stays private
Get quotes