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Screening compounds

Tug-891

Also known as 3-(4-{[5-fluoro-2-(4-methylphenyl)phenyl]methoxy}phenyl)propanoic acid, 3-[4-[[5-fluoro-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid, 3-(4-((5-fluoro-2-(4-methylphenyl)phenyl)methoxy)phenyl)propanoic acid

CAS 1374516-07-0Formula C23H21FO3Molar mass 364.42 g/mol
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Tug-891 chemical structure, C23H21FO3, CAS 1374516-07-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1374516-07-0
Formula
C23H21FO3
Molar mass
364.42 g/mol
HS code
291899
Category
Screening compounds

What is Tug-891?

Plain description, key identifiers and synonyms

Tug-891 is a chemical substance with the molecular formula C23H21FO3 and a molar mass of 364.42 g/mol. Its CAS registry number is 1374516-07-0. The IUPAC name is 3-[4-[[5-fluoro-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-[4-[[5-fluoro-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid
CAS number
1374516-07-0
Molecular formula
C23H21FO3
MDL number
MFCD22421654
InChIKey
LPGBXHWIQNZEJB-UHFFFAOYSA-N
InChI
InChI=1S/C23H21FO3/c1-16-2-7-18(8-3-16)22-12-9-20(24)14-19(22)15-27-21-10-4-17(5-11-21)6-13-23(25)26/h2-5,7-12,14H,6,13,15H2,1H3,(H,25,26)
SMILES (canonical and isomeric)
CC1=CC=C(C=C1)C2=C(C=C(C=C2)F)COC3=CC=C(C=C3)CCC(=O)O

Synonyms

  • 3-(4-{[5-fluoro-2-(4-methylphenyl)phenyl]methoxy}phenyl)propanoic acid
  • 3-[4-[[5-fluoro-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid
  • 3-(4-((5-fluoro-2-(4-methylphenyl)phenyl)methoxy)phenyl)propanoic acid
  • TUG 891
  • 3-(4-((4-Fluoro-4'-methyl-[1,1'-biphenyl]-2-yl)methoxy)phenyl)propanoic acid
  • 3-{4-[(4-fluoro-4'-methylbiphenyl-2-yl)methoxy]phenyl}propanoic acid
  • 3-{4-[(4-fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]phenyl}propanoic acid
  • 3-(4-((4-fluoro-4'-methylbiphenyl-2-yl)methoxy)phenyl)propanoic acid
  • CPD 43
  • TUG891?
  • 4-[(4-Fluoro-4'-methyl[1,1'-biphenyl]-2-yl)methoxy]-benzenepropanoic acid
  • 3-[4-[[5-fluoro-2-(p-tolyl)phenyl]methoxy]phenyl]propanoic acid
  • 3-(4-((4-Fluoro-4-methyl-[1,1-biphenyl]-2-yl)methoxy)phenyl)propanoic acid
  • 3-[4-[(4-Fluoro-4 inverted exclamation mark -methyl-2-biphenylyl)methoxy]phenyl]propanoic Acid

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
364.42 g/molcalc.
Exact mass
364.1475 Dacalc.
LogP (octanol/water)
5.4calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.17calc.
Formal charge
0calc.
Stereocentres
0calc.
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(OCc2ccccc2-c2ccccc2)cc1

c1ccc(OCc2ccccc2-c2ccccc2)cc1

3 rings, 20 atoms.

15 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.

Tug-891 suppliers

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  • Axon Medchem
    United States, RestonUnclaimed profile
    Tug-891Grade, purity and minimum order on request
    Price on request
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Where suppliers are based

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Tug-891 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 Tug-891 is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

The HS code shown for Tug-891 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tug-891, based on the data on this page

What is Tug-891?

Tug-891 is a chemical substance with the molecular formula C23H21FO3 and a molar mass of 364.42 g/mol. Its CAS registry number is 1374516-07-0. The IUPAC name is 3-[4-[[5-fluoro-2-(4-methylphenyl)phenyl]methoxy]phenyl]propanoic acid.

What is the CAS number of Tug-891?

The CAS registry number of Tug-891 is 1374516-07-0.

What is the molecular formula and weight of Tug-891?

The molecular formula of Tug-891 is C23H21FO3 and its molar mass is 364.42 g/mol.

What is Tug-891 used for?

Known uses and roles of Tug-891 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Tug-891 hazardous?

No GHS hazard classification for Tug-891 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 Tug-891?

Tug-891 is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tug-891?

CompoundList lists 1 supplier of Tug-891 in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Tug-891?

Suppliers quote Tug-891 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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