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Impurities and reference standards

Esafoxolaner

Also known as Afoxolaner, (S)-, (S)-4-(5-(3-Chloro-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1-naphthamide, esafoxolanerum

CAS 1096103-99-9Formula C26H17ClF9N3O3Molar mass 625.88 g/mol
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Esafoxolaner chemical structure, C26H17ClF9N3O3, CAS 1096103-99-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1096103-99-9
Formula
C26H17ClF9N3O3
Molar mass
625.88 g/mol
HS code
293499
Category
Impurities and reference standards

What is Esafoxolaner?

Plain description, key identifiers and synonyms

Esafoxolaner is a chemical substance with the molecular formula C26H17ClF9N3O3 and a molar mass of 625.88 g/mol. Its CAS registry number is 1096103-99-9. The IUPAC name is 4-[(5S)-5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(5S)-5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
CAS number
1096103-99-9
Molecular formula
C26H17ClF9N3O3
UNII
46658IQN7V
InChIKey
OXDDDHGGRFRLEE-QHCPKHFHSA-N
InChI
InChI=1S/C26H17ClF9N3O3/c27-15-8-13(7-14(9-15)25(31,32)33)23(26(34,35)36)10-20(39-42-23)18-5-6-19(17-4-2-1-3-16(17)18)22(41)37-11-21(40)38-12-24(28,29)30/h1-9H,10-12H2,(H,37,41)(H,38,40)/t23-/m0/s1
Canonical SMILES
O=C(CNC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12)NCC(F)(F)F
Isomeric SMILES
C1C(=NO[C@@]1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F

Synonyms

  • Afoxolaner, (S)-
  • (S)-4-(5-(3-Chloro-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1-naphthamide
  • esafoxolanerum
  • 4-[(5S)-5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
  • (S)-afoxolaner
  • Afoxolaner Impurity 27

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
625.88 g/molcalc.
Exact mass
625.0815 Dacalc.
LogP (octanol/water)
6.5calc.
Topological polar surface area
79.79 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
42calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.27calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1ccc(C2CC(c3cccc4ccccc34)=NO2)cc1

c1ccc(C2CC(c3cccc4ccccc34)=NO2)cc1

4 rings, 21 atoms.

11 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.

Esafoxolaner suppliers

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Where suppliers are based

1 supplier in 0 countries

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Esafoxolaner price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Use classes: Animal Drugs.

Roles

  • antiinfective agent
  • antiparasitic agent
  • pharmaceutical

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

Frequently asked questions

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

What is Esafoxolaner?

Esafoxolaner is a chemical substance with the molecular formula C26H17ClF9N3O3 and a molar mass of 625.88 g/mol. Its CAS registry number is 1096103-99-9.

What is the CAS number of Esafoxolaner?

The CAS registry number of Esafoxolaner is 1096103-99-9.

What is the molecular formula and weight of Esafoxolaner?

The molecular formula of Esafoxolaner is C26H17ClF9N3O3 and its molar mass is 625.88 g/mol.

What is Esafoxolaner used for?

Use classes: Animal Drugs.

Is Esafoxolaner hazardous?

No GHS hazard classification for Esafoxolaner 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 Esafoxolaner?

Esafoxolaner 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 Esafoxolaner?

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

What is the price of Esafoxolaner?

Suppliers quote Esafoxolaner 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 Esafoxolaner

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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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