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Screening compounds

Fosaprepitant morpholine

Also known as Aprepitant M2 metabolite (1R, 2S, 3S)-isomer, (2S,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine, 2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine, (2S,3S)-

CAS 170902-80-4Formula C20H18F7NO2Molar mass 437.36 g/mol
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Fosaprepitant morpholine chemical structure, C20H18F7NO2, CAS 170902-80-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
170902-80-4
Formula
C20H18F7NO2
Molar mass
437.36 g/mol
HS code
293499
Category
Screening compounds

What is Fosaprepitant morpholine?

Plain description, key identifiers and synonyms

Fosaprepitant morpholine is a chemical substance with the molecular formula C20H18F7NO2 and a molar mass of 437.36 g/mol. Its CAS registry number is 170902-80-4. The IUPAC name is (2S,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
CAS number
170902-80-4
Molecular formula
C20H18F7NO2
UNII
6PLB5HJ98D
InChIKey
AFBDSAJOMZYQAI-VQTKTOELSA-N
InChI
InChI=1S/C20H18F7NO2/c1-11(13-8-14(19(22,23)24)10-15(9-13)20(25,26)27)30-18-17(28-6-7-29-18)12-2-4-16(21)5-3-12/h2-5,8-11,17-18,28H,6-7H2,1H3/t11-,17+,18+/m1/s1
Canonical SMILES
CC(OC1OCCNC1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
Isomeric SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@@H](NCCO2)C3=CC=C(C=C3)F

Synonyms

  • Aprepitant M2 metabolite (1R, 2S, 3S)-isomer
  • (2S,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
  • 2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine, (2S,3S)-
  • Morpholine, 2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, (2S,3S)-
  • Morpholine, 2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-, [2S-[2alpha(S*),3beta]]-

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
437.36 g/molcalc.
Exact mass
437.1226 Dacalc.
LogP (octanol/water)
5.63calc.
Topological polar surface area
30.49 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1ccc(COC2OCCNC2c2ccccc2)cc1

c1ccc(COC2OCCNC2c2ccccc2)cc1

3 rings, 20 atoms.

31 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.

Fosaprepitant morpholine suppliers

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

Frequently asked questions

Quick answers about Fosaprepitant morpholine, based on the data on this page

What is Fosaprepitant morpholine?

Fosaprepitant morpholine is a chemical substance with the molecular formula C20H18F7NO2 and a molar mass of 437.36 g/mol. Its CAS registry number is 170902-80-4. The IUPAC name is (2S,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine.

What is the CAS number of Fosaprepitant morpholine?

The CAS registry number of Fosaprepitant morpholine is 170902-80-4.

What is the molecular formula and weight of Fosaprepitant morpholine?

The molecular formula of Fosaprepitant morpholine is C20H18F7NO2 and its molar mass is 437.36 g/mol.

What is Fosaprepitant morpholine used for?

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

Is Fosaprepitant morpholine hazardous?

No GHS hazard classification for Fosaprepitant morpholine 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 Fosaprepitant morpholine?

Fosaprepitant morpholine 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 Fosaprepitant morpholine?

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

What is the price of Fosaprepitant morpholine?

Suppliers quote Fosaprepitant morpholine 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 Fosaprepitant morpholine

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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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