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Heterocyclic building blocks

Paniculidine A

Also known as methyl 4-(1H-indol-3-yl)-2-methylbutanoate, 1H-Indole-3-butanoic acid, a-methyl-, methyl ester, (aR)-, ( inverted exclamation markA)-Paniculidine A

CAS 97399-93-4Formula C14H17NO2Molar mass 231.30 g/mol
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Paniculidine A chemical structure, C14H17NO2, CAS 97399-93-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
97399-93-4
Formula
C14H17NO2
Molar mass
231.30 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Paniculidine A?

Plain description, key identifiers and synonyms

methyl 4-(1H-indol-3-yl)-2-methylbutanoate has been reported in Glycosmis pentaphylla and Murraya exotica.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 4-(1H-indol-3-yl)-2-methylbutanoate
CAS number
97399-93-4Other or deprecated CAS: 106499-96-1
Molecular formula
C14H17NO2
MDL number
MFCD20274562
InChIKey
OSINFMIOMWBGDS-UHFFFAOYSA-N
InChI
InChI=1S/C14H17NO2/c1-10(14(16)17-2)7-8-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,15H,7-8H2,1-2H3
SMILES (canonical and isomeric)
CC(CCC1=CNC2=CC=CC=C21)C(=O)OC

Synonyms

  • methyl 4-(1H-indol-3-yl)-2-methylbutanoate
  • 1H-Indole-3-butanoic acid, a-methyl-, methyl ester, (aR)-
  • ( inverted exclamation markA)-Paniculidine A
  • 1H-Indole-3-butanoic acid, alpha-methyl-, methyl ester, (R)-, (-)-Methyl 2-methyl-4-(indol-3-yl)butyrate
  • Methyl (R)-4-(1H-indol-3-yl)-2-methylbutanoate
  • methyl 4-(1H-indol-3-yl)-2-methyl-butanoate

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
231.30 g/molcalc.
Exact mass
231.1259 Dacalc.
LogP (octanol/water)
2.91calc.
Topological polar surface area
42.09 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.36calc.
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, c1ccc2[nH]ccc2c1

c1ccc2[nH]ccc2c1

2 rings, 9 atoms, the Indole ring system.

25,097 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.

Paniculidine A suppliers

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Paniculidine A 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 Paniculidine A is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Paniculidine A, based on the data on this page

What is Paniculidine A?

methyl 4-(1H-indol-3-yl)-2-methylbutanoate has been reported in Glycosmis pentaphylla and Murraya exotica.

What is the CAS number of Paniculidine A?

The CAS registry number of Paniculidine A is 97399-93-4. Other or deprecated CAS numbers: 106499-96-1.

What is the molecular formula and weight of Paniculidine A?

The molecular formula of Paniculidine A is C14H17NO2 and its molar mass is 231.30 g/mol.

What is Paniculidine A used for?

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

Is Paniculidine A hazardous?

No GHS hazard classification for Paniculidine A 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 Paniculidine A?

Paniculidine A is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Paniculidine A?

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

What is the price of Paniculidine A?

Suppliers quote Paniculidine A 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 Paniculidine A

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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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