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Screening compounds

Ave-3085

Also known as AVE 3085, 2,2-difluoro-benzo[1,3]dioxole-5-carboxylic acid indan-2-ylamide, 2,2-Difluoro-N-indan-2-yl-1,3-benzodioxole-5-carboxamide

CAS 450348-85-3Formula C17H13F2NO3Molar mass 317.29 g/mol
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Ave-3085 chemical structure, C17H13F2NO3, CAS 450348-85-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
450348-85-3
Formula
C17H13F2NO3
Molar mass
317.29 g/mol
HS code
293299
Category
Screening compounds

What is Ave-3085?

Plain description, key identifiers and synonyms

Ave-3085 is a chemical substance with the molecular formula C17H13F2NO3 and a molar mass of 317.29 g/mol. Its CAS registry number is 450348-85-3. The IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2,2-difluoro-1,3-benzodioxole-5-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-(2,3-dihydro-1H-inden-2-yl)-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CAS number
450348-85-3
Molecular formula
C17H13F2NO3
UNII
GWD67BMF7L
MDL number
MFCD30532601
InChIKey
OKCJNSDIVCXYAL-UHFFFAOYSA-N
InChI
InChI=1S/C17H13F2NO3/c18-17(19)22-14-6-5-12(9-15(14)23-17)16(21)20-13-7-10-3-1-2-4-11(10)8-13/h1-6,9,13H,7-8H2,(H,20,21)
SMILES (canonical and isomeric)
C1C(CC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OC(O4)(F)F

Synonyms

  • AVE 3085
  • 2,2-difluoro-benzo[1,3]dioxole-5-carboxylic acid indan-2-ylamide
  • 2,2-Difluoro-N-indan-2-yl-1,3-benzodioxole-5-carboxamide
  • 1,3-Bezodioxole-5-carboxamide, N-(2,3-dihydro-1H-inden-2-yl)-2,2-difluoro-
  • 1,3-Benzodioxole-5-carboxamide, N-(2,3-dihydro-1H-inden-2-yl)-2,2-difluoro-

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
317.29 g/molcalc.
Exact mass
317.0864 Dacalc.
LogP (octanol/water)
2.91calc.
Topological polar surface area
47.56 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.24calc.
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, O=C(NC1Cc2ccccc2C1)c1ccc2c(c1)OCO2

O=C(NC1Cc2ccccc2C1)c1ccc2c(c1)OCO2

4 rings, 21 atoms.

No other chemical in our database has 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.

Ave-3085 suppliers

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Ave-3085 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 Ave-3085 is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Ave-3085 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ave-3085, based on the data on this page

What is Ave-3085?

Ave-3085 is a chemical substance with the molecular formula C17H13F2NO3 and a molar mass of 317.29 g/mol. Its CAS registry number is 450348-85-3. The IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2,2-difluoro-1,3-benzodioxole-5-carboxamide.

What is the CAS number of Ave-3085?

The CAS registry number of Ave-3085 is 450348-85-3.

What is the molecular formula and weight of Ave-3085?

The molecular formula of Ave-3085 is C17H13F2NO3 and its molar mass is 317.29 g/mol.

What is Ave-3085 used for?

Known uses and roles of Ave-3085 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Ave-3085 hazardous?

No GHS hazard classification for Ave-3085 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 Ave-3085?

Ave-3085 is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ave-3085?

Post a free request on CompoundList and suppliers of Ave-3085 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Ave-3085?

Suppliers quote Ave-3085 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 Ave-3085

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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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