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Screening compounds

Fallypride precursor

Also known as Tosylfallypride, 3-[3,4-dimethoxy-5-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methylcarbamoyl]phenyl]propyl 4-methylbenzenesulfonate, (S)-2,3-Dimethoxy-5-[3-[[(4-methylphenyl)-sulfonyl]oxy]-propyl]-N-[[1-(2-propenyl)-2-pyrrolidinyl]me

CAS 166173-74-6Formula C27H36N2O6SMolar mass 516.66 g/mol
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Fallypride precursor chemical structure, C27H36N2O6S, CAS 166173-74-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
166173-74-6
Formula
C27H36N2O6S
Molar mass
516.66 g/mol
HS code
293399
Category
Screening compounds

What is Fallypride precursor?

Plain description, key identifiers and synonyms

Fallypride precursor is a chemical substance with the molecular formula C27H36N2O6S and a molar mass of 516.66 g/mol. Its CAS registry number is 166173-74-6. The IUPAC name is 3-[3,4-dimethoxy-5-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methylcarbamoyl]phenyl]propyl 4-methylbenzenesulfonate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[3,4-dimethoxy-5-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methylcarbamoyl]phenyl]propyl 4-methylbenzenesulfonate
CAS number
166173-74-6
Molecular formula
C27H36N2O6S
InChIKey
OFLAGJJEFUTNKU-QFIPXVFZSA-N
InChI
InChI=1S/C27H36N2O6S/c1-5-14-29-15-6-9-22(29)19-28-27(30)24-17-21(18-25(33-3)26(24)34-4)8-7-16-35-36(31,32)23-12-10-20(2)11-13-23/h5,10-13,17-18,22H,1,6-9,14-16,19H2,2-4H3,(H,28,30)/t22-/m0/s1
Canonical SMILES
C=CCN1CCCC1CNC(=O)c1cc(CCCOS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=C(C(=C2)OC)OC)C(=O)NC[C@@H]3CCCN3CC=C

Synonyms

  • Tosylfallypride
  • 3-[3,4-dimethoxy-5-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methylcarbamoyl]phenyl]propyl 4-methylbenzenesulfonate
  • (S)-2,3-Dimethoxy-5-[3-[[(4-methylphenyl)-sulfonyl]oxy]-propyl]-N-[[1-(2-propenyl)-2-pyrrolidinyl]me
  • (S)-3-(3-(((1-Allylpyrrolidin-2-yl)methyl)carbamoyl)-4,5-dimethoxyphenyl)propyl 4-methylbenzenesulfonate
  • (S)-3-(3-(((1-Allylpyrrolidin-2-yl)methyl)carbamoyl)-4,5-dimethoxyphenyl)propyl4-methylbenzenesulfonate
  • (s)-N-[(1-allyl-2-pyrrolidinyl)methyl]-5-(3-tosyloxypropyl)-2,3-dimethoxybenzamide
  • (S)-2,3-dimethoxy-5-[3-[[(4-methylphenyl)-sulfonyl]oxy]-propyl]-N-[[1-(2-propenyl)-2-pyrrolidinyl]methyl]benzamide

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
516.66 g/molcalc.
Exact mass
516.2294 Dacalc.
LogP (octanol/water)
3.73calc.
Topological polar surface area
94.17 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
13calc.
Heavy atoms
36calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.44calc.
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, O=C(NCC1CCCN1)c1cccc(CCCOS(=O)(=O)c2ccccc2)c1

O=C(NCC1CCCN1)c1cccc(CCCOS(=O)(=O)c2ccccc2)c1

3 rings, 28 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.

Fallypride precursor suppliers

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

Frequently asked questions

Quick answers about Fallypride precursor, based on the data on this page

What is Fallypride precursor?

Fallypride precursor is a chemical substance with the molecular formula C27H36N2O6S and a molar mass of 516.66 g/mol. Its CAS registry number is 166173-74-6. The IUPAC name is 3-[3,4-dimethoxy-5-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methylcarbamoyl]phenyl]propyl 4-methylbenzenesulfonate.

What is the CAS number of Fallypride precursor?

The CAS registry number of Fallypride precursor is 166173-74-6.

What is the molecular formula and weight of Fallypride precursor?

The molecular formula of Fallypride precursor is C27H36N2O6S and its molar mass is 516.66 g/mol.

What is Fallypride precursor used for?

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

Is Fallypride precursor hazardous?

No GHS hazard classification for Fallypride precursor 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 Fallypride precursor?

Fallypride precursor 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 Fallypride precursor?

CompoundList lists 1 supplier of Fallypride precursor in Estonia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Fallypride precursor?

Suppliers quote Fallypride precursor on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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