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Screening compounds

Aprepitant open-ring methyl ester impurity

Formula C24H25F7N4O4Molar mass 566.47 g/mol
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Aprepitant open-ring methyl ester impurity chemical structure, C24H25F7N4O4
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C24H25F7N4O4
Molar mass
566.47 g/mol
HS code
293499
Category
Screening compounds

What is Aprepitant open-ring methyl ester impurity?

Plain description, key identifiers and synonyms

Aprepitant open-ring methyl ester impurity is a chemical substance with the molecular formula C24H25F7N4O4 and a molar mass of 566.47 g/mol. The IUPAC name is methyl N-[(Z)-[1-amino-2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]ethylidene]amino]carbamate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl N-[(Z)-[1-amino-2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]ethylidene]amino]carbamate
Molecular formula
C24H25F7N4O4
InChIKey
JMBSYJOVXPFTFD-UHFFFAOYSA-N
InChI
InChI=1S/C24H25F7N4O4/c1-13(15-9-16(23(26,27)28)11-17(10-15)24(29,30)31)39-21-20(14-3-5-18(25)6-4-14)35(7-8-38-21)12-19(32)33-34-22(36)37-2/h3-6,9-11,13,20-21H,7-8,12H2,1-2H3,(H2,32,33)(H,34,36)
Canonical SMILES
COC(=O)NN=C(N)CN1CCOC(OC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1
Isomeric SMILES
CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)C/C(=N/NC(=O)OC)/N)C3=CC=C(C=C3)F

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
566.47 g/molcalc.
Exact mass
566.1764 Dacalc.
LogP (octanol/water)
4.97calc.
Topological polar surface area
98.41 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
39calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.42calc.
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.

Aprepitant open-ring methyl ester impurity suppliers

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Aprepitant open-ring methyl ester impurity 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 Aprepitant open-ring methyl ester impurity 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 Aprepitant open-ring methyl ester impurity is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Aprepitant open-ring methyl ester impurity, based on the data on this page

What is Aprepitant open-ring methyl ester impurity?

Aprepitant open-ring methyl ester impurity is a chemical substance with the molecular formula C24H25F7N4O4 and a molar mass of 566.47 g/mol. The IUPAC name is methyl N-[(Z)-[1-amino-2-[2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]ethylidene]amino]carbamate.

What is the molecular formula and weight of Aprepitant open-ring methyl ester impurity?

The molecular formula of Aprepitant open-ring methyl ester impurity is C24H25F7N4O4 and its molar mass is 566.47 g/mol.

What is Aprepitant open-ring methyl ester impurity used for?

Known uses and roles of Aprepitant open-ring methyl ester impurity include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Aprepitant open-ring methyl ester impurity hazardous?

No GHS hazard classification for Aprepitant open-ring methyl ester impurity 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 Aprepitant open-ring methyl ester impurity?

Aprepitant open-ring methyl ester impurity 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 Aprepitant open-ring methyl ester impurity?

Post a free request on CompoundList and suppliers of Aprepitant open-ring methyl ester impurity will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Aprepitant open-ring methyl ester impurity?

Suppliers quote Aprepitant open-ring methyl ester impurity 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 Aprepitant open-ring methyl ester impurity

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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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