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Screening compounds

Befetupitant

Also known as Ro 67-5930, 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl]propanamide, 2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-methylphenyl)-6-(morpholin-4-yl)pyridin-3-yl)-N-methylisobutyramide

CAS 290296-68-3Formula C29H29F6N3O2Molar mass 565.56 g/mol
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Befetupitant chemical structure, C29H29F6N3O2, CAS 290296-68-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
290296-68-3
Formula
C29H29F6N3O2
Molar mass
565.56 g/mol
HS code
293499
Category
Screening compounds

What is Befetupitant?

Plain description, key identifiers and synonyms

Befetupitant is a chemical substance with the molecular formula C29H29F6N3O2 and a molar mass of 565.56 g/mol. Its CAS registry number is 290296-68-3. The IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-yl-3-pyridinyl]propanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-yl-3-pyridinyl]propanamide
CAS number
290296-68-3 CAS number cross-checked
Molecular formula
C29H29F6N3O2
UNII
RSH7NDI7MI
InChIKey
ZGNPLCMMVKCTHM-UHFFFAOYSA-N
InChI
InChI=1S/C29H29F6N3O2/c1-18-7-5-6-8-22(18)23-16-25(38-9-11-40-12-10-38)36-17-24(23)37(4)26(39)27(2,3)19-13-20(28(30,31)32)15-21(14-19)29(33,34)35/h5-8,13-17H,9-12H2,1-4H3
SMILES (canonical and isomeric)
CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCOCC4

Synonyms

  • Ro 67-5930
  • 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl]propanamide
  • 2-(3,5-bis(trifluoromethyl)phenyl)-N-(4-(2-methylphenyl)-6-(morpholin-4-yl)pyridin-3-yl)-N-methylisobutyramide
  • befetupitantum
  • 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(4-(2-methylphenyl)-6-morpholin-4-ylpyridin-3-yl)propanamide
  • 2-(3,5-Bis(trifluoromethyl)phenyl)-N-[4-[2-methylphenyl]-6-(morpholin-4-yl)pyridin-3-yl]-N-methylisobutyramide
  • 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-morpholino-4-(o-tolyl)pyridin-3-yl)propanamide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-yl-pyridin-3-yl]propanamide
  • Ro67-5930
  • Befetupitant (USAN/INN)
  • 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(morpholin-4-yl)pyridin-3-yl]propanamide
  • RO 67-5930/000
  • 2-(3,5-Bis(trifluomethyl)phenyl)-N,2-dimethyl-N-(4-(2-methylphenyl)-6-(morpholin-4-yl)pyridin-3-yl)propanamide
  • 2-(3,5-bis(trifluoromethyl)phenyl)-N,2-dimethyl-N-(6-morpholino-4-o-tolylpyridin-3-yl)propanamide
  • 2-(3,5-Bis-trifluoromethyl-phenyl)-N-methyl-N-(6-mopholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide
  • 2-(3,5-Bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramid
  • 2-(3,5-bis-trifluoromethyl-phenyl)-N-methyl-N-(6-morpholin-4-yl-4-o-tolyl-pyridin-3-yl)-isobutyramide
  • 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-yl-3-pyridinyl]propanamide
  • Benzeneacetamide, N,alpha,alpha-trimethyl-N-(4-(2-methylphenyl)-6-(morpholin-4-yl)-pyridin-3-yl)-N-methylisobutyramide

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
565.56 g/molcalc.
Exact mass
565.2164 Dacalc.
LogP (octanol/water)
6.87calc.
Topological polar surface area
45.67 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
40calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.38calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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=C(Cc1ccccc1)Nc1cnc(N2CCOCC2)cc1-c1ccccc1

O=C(Cc1ccccc1)Nc1cnc(N2CCOCC2)cc1-c1ccccc1

4 rings, 28 atoms.

No other chemical in our database has 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.

Befetupitant suppliers

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

Frequently asked questions

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

What is Befetupitant?

Befetupitant is a chemical substance with the molecular formula C29H29F6N3O2 and a molar mass of 565.56 g/mol. Its CAS registry number is 290296-68-3. The IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-morpholin-4-yl-3-pyridinyl]propanamide.

What is the CAS number of Befetupitant?

The CAS registry number of Befetupitant is 290296-68-3.

What is the molecular formula and weight of Befetupitant?

The molecular formula of Befetupitant is C29H29F6N3O2 and its molar mass is 565.56 g/mol.

What is Befetupitant used for?

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

Is Befetupitant hazardous?

No GHS hazard classification for Befetupitant 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 Befetupitant?

Befetupitant 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 Befetupitant?

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

What is the price of Befetupitant?

Suppliers quote Befetupitant 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

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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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