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Screening compounds

Anticancer agent 139

CAS 2954795-29-8Formula C16H12F3N3OMolar mass 319.29 g/mol
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Anticancer agent 139 chemical structure, C16H12F3N3O, CAS 2954795-29-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2954795-29-8
Formula
C16H12F3N3O
Molar mass
319.29 g/mol
HS code
293499
Category
Screening compounds

What is Anticancer agent 139?

Plain description, key identifiers and synonyms

Anticancer agent 139 is a chemical substance with the molecular formula C16H12F3N3O and a molar mass of 319.29 g/mol. Its CAS registry number is 2954795-29-8. The IUPAC name is N-(2,4-dimethylphenyl)-5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-amine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-(2,4-dimethylphenyl)-5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-amine
CAS number
2954795-29-8
Molecular formula
C16H12F3N3O
InChIKey
YVXYCCNBPZAKMF-UHFFFAOYSA-N
InChI
InChI=1S/C16H12F3N3O/c1-8-3-4-13(9(2)5-8)20-16-22-21-15(23-16)10-6-11(17)14(19)12(18)7-10/h3-7H,1-2H3,(H,20,22)
SMILES (canonical and isomeric)
CC1=CC(=C(C=C1)NC2=NN=C(O2)C3=CC(=C(C(=C3)F)F)F)C

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
319.29 g/molcalc.
Exact mass
319.0932 Dacalc.
LogP (octanol/water)
4.51calc.
Topological polar surface area
50.95 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.13calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 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(Nc2nnc(-c3ccccc3)o2)cc1

c1ccc(Nc2nnc(-c3ccccc3)o2)cc1

3 rings, 18 atoms, the N,5-diphenyl-1,3,4-oxadiazol-2-amine ring system.

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.

Anticancer agent 139 suppliers

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Anticancer agent 139 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 Anticancer agent 139 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 Anticancer agent 139 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Anticancer agent 139, based on the data on this page

What is Anticancer agent 139?

Anticancer agent 139 is a chemical substance with the molecular formula C16H12F3N3O and a molar mass of 319.29 g/mol. Its CAS registry number is 2954795-29-8. The IUPAC name is N-(2,4-dimethylphenyl)-5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-amine.

What is the CAS number of Anticancer agent 139?

The CAS registry number of Anticancer agent 139 is 2954795-29-8.

What is the molecular formula and weight of Anticancer agent 139?

The molecular formula of Anticancer agent 139 is C16H12F3N3O and its molar mass is 319.29 g/mol.

What is Anticancer agent 139 used for?

Known uses and roles of Anticancer agent 139 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Anticancer agent 139 hazardous?

No GHS hazard classification for Anticancer agent 139 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 Anticancer agent 139?

Anticancer agent 139 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 Anticancer agent 139?

Post a free request on CompoundList and suppliers of Anticancer agent 139 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Anticancer agent 139?

Suppliers quote Anticancer agent 139 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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