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Screening compounds

Orb1702622

Also known as (S)-cyano(3-phenoxyphenyl)methyl (1R,3S)-3-((Z)-3-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)-3-oxoprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(3-oxo-3-(2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-1-propenyl)-, cyano(3-phenoxyphenyl)methyl ester, [cyano-(3-phenoxyphenyl)methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate

CAS 103833-18-7Formula C26H21F6NO5Molar mass 541.44 g/mol
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Orb1702622 chemical structure, C26H21F6NO5, CAS 103833-18-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
103833-18-7
Formula
C26H21F6NO5
Molar mass
541.44 g/mol
HS code
292690
Category
Screening compounds

What is Orb1702622?

Plain description, key identifiers and synonyms

Orb1702622 is a chemical substance with the molecular formula C26H21F6NO5 and a molar mass of 541.44 g/mol. Its CAS registry number is 103833-18-7. The IUPAC name is [cyano-(3-phenoxyphenyl)methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[cyano-(3-phenoxyphenyl)methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CAS number
103833-18-7 CAS number cross-checked
Molecular formula
C26H21F6NO5
InChIKey
YLFSVIMMRPNPFK-UHFFFAOYSA-N
InChI
InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3
SMILES (canonical and isomeric)
CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C

Synonyms

  • (S)-cyano(3-phenoxyphenyl)methyl (1R,3S)-3-((Z)-3-((1,1,1,3,3,3-hexafluoropropan-2-yl)oxy)-3-oxoprop-1-en-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
  • Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(3-oxo-3-(2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-1-propenyl)-, cyano(3-phenoxyphenyl)methyl ester
  • [cyano-(3-phenoxyphenyl)methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
  • alpha-Cyano-3-phenoxybenzyl 2,2-dimethyl-3-[3-oxo-3-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1-propenyl]cyclopropanecarboxylate
  • cyano(3-phenoxyphenyl)methyl 3-{3-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-3-oxoprop-1-en-1-yl}-2,2-dimethylcyclopropane-1-carboxylate

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
541.44 g/molcalc.
Exact mass
541.1324 Dacalc.
LogP (octanol/water)
6.45calc.
Topological polar surface area
85.62 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
38calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
Formal charge
0calc.
Stereocentres
3calc.
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(OCc1cccc(Oc2ccccc2)c1)C1CC1

O=C(OCc1cccc(Oc2ccccc2)c1)C1CC1

3 rings, 20 atoms.

165 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.

Orb1702622 suppliers

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Orb1702622 price

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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 Orb1702622 is traded under.

HS 2926.90Indicative HS code

Nitrile-function compounds, other

World exports in 2024
$2.15B
−13.5% vs 2023, imports $2.17B
2019 to 2024
Top exporters
  1. China35.6%
  2. France * partner reported12.7%
  3. India * partner reported11.2%
Top importers
  1. United States13.6%
  2. China12.4%
  3. Brazil11.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Orb1702622 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1702622, based on the data on this page

What is Orb1702622?

Orb1702622 is a chemical substance with the molecular formula C26H21F6NO5 and a molar mass of 541.44 g/mol. Its CAS registry number is 103833-18-7. The IUPAC name is [cyano-(3-phenoxyphenyl)methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate.

What is the CAS number of Orb1702622?

The CAS registry number of Orb1702622 is 103833-18-7.

What is the molecular formula and weight of Orb1702622?

The molecular formula of Orb1702622 is C26H21F6NO5 and its molar mass is 541.44 g/mol.

What is Orb1702622 used for?

Known uses and roles of Orb1702622 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1702622 hazardous?

No GHS hazard classification for Orb1702622 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 Orb1702622?

Orb1702622 is usually classified under HS code 292690 (Nitrile-function compounds, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1702622?

Post a free request on CompoundList and suppliers of Orb1702622 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1702622?

Suppliers quote Orb1702622 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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