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Screening compounds

Ezetimibe impurity C115

Also known as (3R,4S)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)propyl)azetidin-2-one

CAS 204589-96-8Formula C31H27F2NO2Molar mass 483.56 g/mol
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Ezetimibe impurity C115 chemical structure, C31H27F2NO2, CAS 204589-96-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
204589-96-8
Formula
C31H27F2NO2
Molar mass
483.56 g/mol
HS code
293379
Category
Screening compounds

What is Ezetimibe impurity C115?

Plain description, key identifiers and synonyms

Ezetimibe impurity C115 is a chemical substance with the molecular formula C31H27F2NO2 and a molar mass of 483.56 g/mol. Its CAS registry number is 204589-96-8. The IUPAC name is (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CAS number
204589-96-8
Molecular formula
C31H27F2NO2
InChIKey
INJUWUVFMYTUIG-LOYHVIPDSA-N
InChI
InChI=1S/C31H27F2NO2/c32-25-13-9-22(10-14-25)7-4-8-29-30(34(31(29)35)27-17-15-26(33)16-18-27)24-11-19-28(20-12-24)36-21-23-5-2-1-3-6-23/h1-3,5-6,9-20,29-30H,4,7-8,21H2/t29-,30-/m1/s1
Canonical SMILES
O=C1C(CCCc2ccc(F)cc2)C(c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1
Isomeric SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)[C@@H]3[C@H](C(=O)N3C4=CC=C(C=C4)F)CCCC5=CC=C(C=C5)F

Synonyms

  • (3R,4S)-4-(4-(benzyloxy)phenyl)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)propyl)azetidin-2-one

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
483.56 g/molcalc.
Exact mass
483.201 Dacalc.
LogP (octanol/water)
7.27calc.
Topological polar surface area
29.54 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
9calc.
Heavy atoms
36calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.19calc.
Formal charge
0calc.
Stereocentres
2calc.
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=C1C(CCCc2ccccc2)C(c2ccc(OCc3ccccc3)cc2)N1c1ccccc1

O=C1C(CCCc2ccccc2)C(c2ccc(OCc3ccccc3)cc2)N1c1ccccc1

5 rings, 34 atoms.

6 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.

Ezetimibe impurity C115 suppliers

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Ezetimibe impurity C115 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 Ezetimibe impurity C115 is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Ezetimibe impurity C115 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ezetimibe impurity C115, based on the data on this page

What is Ezetimibe impurity C115?

Ezetimibe impurity C115 is a chemical substance with the molecular formula C31H27F2NO2 and a molar mass of 483.56 g/mol. Its CAS registry number is 204589-96-8. The IUPAC name is (3R,4S)-1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)propyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one.

What is the CAS number of Ezetimibe impurity C115?

The CAS registry number of Ezetimibe impurity C115 is 204589-96-8.

What is the molecular formula and weight of Ezetimibe impurity C115?

The molecular formula of Ezetimibe impurity C115 is C31H27F2NO2 and its molar mass is 483.56 g/mol.

What is Ezetimibe impurity C115 used for?

Known uses and roles of Ezetimibe impurity C115 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ezetimibe impurity C115 hazardous?

No GHS hazard classification for Ezetimibe impurity C115 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 Ezetimibe impurity C115?

Ezetimibe impurity C115 is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ezetimibe impurity C115?

Post a free request on CompoundList and suppliers of Ezetimibe impurity C115 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ezetimibe impurity C115?

Suppliers quote Ezetimibe impurity C115 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 Ezetimibe impurity C115

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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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