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Screening compounds

AF 57

Also known as A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(hydrogen butanedioate), (2-beta,5-alpha,17-alpha)-, 4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid, 4-[(2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl)oxy]-4-oxobutanoic acid

CAS 96107-38-9Formula C26H34O5Molar mass 426.55 g/mol
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AF 57 chemical structure, C26H34O5, CAS 96107-38-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
96107-38-9
Formula
C26H34O5
Molar mass
426.55 g/mol
HS code
291719
Category
Screening compounds

What is AF 57?

Plain description, key identifiers and synonyms

AF 57 is a chemical substance with the molecular formula C26H34O5 and a molar mass of 426.55 g/mol. Its CAS registry number is 96107-38-9. The IUPAC name is 4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid
CAS number
96107-38-9 CAS number cross-checked
Molecular formula
C26H34O5
InChIKey
QFWXVJBIZHFTCE-NHVJKOCDSA-N
InChI
InChI=1S/C26H34O5/c1-5-25(31-22(29)10-9-21(27)28)15-17-7-8-18-19(23(17,3)16-25)11-13-24(4)20(18)12-14-26(24,30)6-2/h1-2,17-20,30H,7-16H2,3-4H3,(H,27,28)/t17-,18+,19-,20?,23-,24-,25+,26-/m0/s1
Canonical SMILES
C#CC1(OC(=O)CCC(=O)O)CC2CCC3C(CCC4(C)C3CCC4(O)C#C)C2(C)C1
Isomeric SMILES
C[C@]12CC[C@H]3[C@H](C1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(C[C@](C4)(C#C)OC(=O)CCC(=O)O)C

Synonyms

  • A-Norpregn-20-yne-2,17-diol, 2-ethynyl-, 2-(hydrogen butanedioate), (2-beta,5-alpha,17-alpha)-
  • 4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid
  • 4-[(2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl)oxy]-4-oxobutanoic acid
  • 4-{[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-Diethynyl-6-hydroxy-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl]oxy}-4-oxobutanoic 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
426.55 g/molcalc.
Exact mass
426.2406 Dacalc.
LogP (octanol/water)
3.78calc.
Topological polar surface area
83.83 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
8calc.
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, C1CC2CCC3C4CCCC4CCC3C2C1

C1CC2CCC3C4CCCC4CCC3C2C1

4 rings, 16 atoms.

20 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.

AF 57 suppliers

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AF 57 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 AF 57 is traded under.

HS 2917.19Indicative HS code

Acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024
$718M
+8.1% vs 2023, imports $915M
2019 to 2024
Top exporters
  1. China46.6%
  2. United States13.7%
  3. Germany10.1%
Top importers
  1. United States16.2%
  2. Denmark11.8%
  3. Germany10.0%
Reported customs values in USD, not prices.Full trade data

The HS code shown for AF 57 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about AF 57, based on the data on this page

What is AF 57?

AF 57 is a chemical substance with the molecular formula C26H34O5 and a molar mass of 426.55 g/mol. Its CAS registry number is 96107-38-9. The IUPAC name is 4-[[(2R,3aS,3bS,5aS,6R,8bR,10aS)-2,6-diethynyl-6-hydroxy-3a,5a-dimethyl-1,3,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-2-yl]oxy]-4-oxobutanoic acid.

What is the CAS number of AF 57?

The CAS registry number of AF 57 is 96107-38-9.

What is the molecular formula and weight of AF 57?

The molecular formula of AF 57 is C26H34O5 and its molar mass is 426.55 g/mol.

What is AF 57 used for?

Known uses and roles of AF 57 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is AF 57 hazardous?

No GHS hazard classification for AF 57 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 AF 57?

AF 57 is usually classified under HS code 291719 (Acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy AF 57?

Post a free request on CompoundList and suppliers of AF 57 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of AF 57?

Suppliers quote AF 57 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 AF 57

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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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