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Screening compounds

Opabactin

Also known as 1-[2-(4-Cyano-3,5-dicyclopropylphenyl)acetamido]cyclohexanecarboxylic Acid

CAS 2407423-32-7Formula C22H26N2O3Molar mass 366.46 g/mol
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Opabactin chemical structure, C22H26N2O3, CAS 2407423-32-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2407423-32-7
Formula
C22H26N2O3
Molar mass
366.46 g/mol
HS code
292690
Category
Screening compounds

What is Opabactin?

Plain description, key identifiers and synonyms

Opabactin is a chemical substance with the molecular formula C22H26N2O3 and a molar mass of 366.46 g/mol. Its CAS registry number is 2407423-32-7. The IUPAC name is 1-[[2-(4-cyano-3,5-dicyclopropylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-[[2-(4-cyano-3,5-dicyclopropylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CAS number
2407423-32-7
Molecular formula
C22H26N2O3
InChIKey
BXNCXSHIFJDMRK-UHFFFAOYSA-N
InChI
InChI=1S/C22H26N2O3/c23-13-19-17(15-4-5-15)10-14(11-18(19)16-6-7-16)12-20(25)24-22(21(26)27)8-2-1-3-9-22/h10-11,15-16H,1-9,12H2,(H,24,25)(H,26,27)
SMILES (canonical and isomeric)
C1CCC(CC1)(C(=O)O)NC(=O)CC2=CC(=C(C(=C2)C3CC3)C#N)C4CC4

Synonyms

  • 1-[2-(4-Cyano-3,5-dicyclopropylphenyl)acetamido]cyclohexanecarboxylic 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
366.46 g/molcalc.
Exact mass
366.1943 Dacalc.
LogP (octanol/water)
3.76calc.
Topological polar surface area
90.19 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
6calc.
Heavy atoms
27calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
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(Cc1cc(C2CC2)cc(C2CC2)c1)NC1CCCCC1

O=C(Cc1cc(C2CC2)cc(C2CC2)c1)NC1CCCCC1

4 rings, 22 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.

Opabactin suppliers

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

Frequently asked questions

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

What is Opabactin?

Opabactin is a chemical substance with the molecular formula C22H26N2O3 and a molar mass of 366.46 g/mol. Its CAS registry number is 2407423-32-7. The IUPAC name is 1-[[2-(4-cyano-3,5-dicyclopropylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

What is the CAS number of Opabactin?

The CAS registry number of Opabactin is 2407423-32-7.

What is the molecular formula and weight of Opabactin?

The molecular formula of Opabactin is C22H26N2O3 and its molar mass is 366.46 g/mol.

What is Opabactin used for?

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

Is Opabactin hazardous?

No GHS hazard classification for Opabactin 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 Opabactin?

Opabactin 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 Opabactin?

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

What is the price of Opabactin?

Suppliers quote Opabactin 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 Opabactin

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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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