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Screening compounds

Anticancer agent 26

CAS 2768083-79-8Formula C28H33NO5Molar mass 463.57 g/mol
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Anticancer agent 26 chemical structure, C28H33NO5, CAS 2768083-79-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2768083-79-8
Formula
C28H33NO5
Molar mass
463.57 g/mol
HS code
293339
Category
Screening compounds

What is Anticancer agent 26?

Plain description, key identifiers and synonyms

Anticancer agent 26 is a chemical substance with the molecular formula C28H33NO5 and a molar mass of 463.57 g/mol. Its CAS registry number is 2768083-79-8. The IUPAC name is [(1S,5S,8R,11R,18R)-9-hydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-18-yl] (E)-3-pyridin-4-ylprop-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,5S,8R,11R,18R)-9-hydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-18-yl] (E)-3-pyridin-4-ylprop-2-enoate
CAS number
2768083-79-8
Molecular formula
C28H33NO5
InChIKey
ATISONUWEZVDGA-PJQPIYLSSA-N
InChI
InChI=1S/C28H33NO5/c1-17-19-6-7-20-26-12-4-11-25(2,3)21(26)15-27(32,33-16-26)28(20,23(17)31)24(19)34-22(30)8-5-18-9-13-29-14-10-18/h5,8-10,13-14,19-21,24,32H,1,4,6-7,11-12,15-16H2,2-3H3/b8-5+/t19-,20?,21+,24+,26+,27?,28-/m0/s1
Canonical SMILES
C=C1C(=O)C23C(OC(=O)C=Cc4ccncc4)C1CCC2C12CCCC(C)(C)C1CC3(O)OC2
Isomeric SMILES
CC1(CCC[C@]23[C@@H]1CC([C@]45C2CC[C@H]([C@H]4OC(=O)/C=C/C6=CC=NC=C6)C(=C)C5=O)(OC3)O)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
463.57 g/molcalc.
Exact mass
463.2359 Dacalc.
LogP (octanol/water)
4.09calc.
Topological polar surface area
85.72 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
34calc.
Rings
7calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
7calc.
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, C=C1C(=O)C23C4CC5CCCCC5(CO4)C2CCC1C3OC(=O)C=Cc1ccncc1

C=C1C(=O)C23C4CC5CCCCC5(CO4)C2CCC1C3OC(=O)C=Cc1ccncc1

7 rings, 31 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.

Anticancer agent 26 suppliers

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Anticancer agent 26 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 Anticancer agent 26 is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

The HS code shown for Anticancer agent 26 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 26, based on the data on this page

What is Anticancer agent 26?

Anticancer agent 26 is a chemical substance with the molecular formula C28H33NO5 and a molar mass of 463.57 g/mol. Its CAS registry number is 2768083-79-8.

What is the CAS number of Anticancer agent 26?

The CAS registry number of Anticancer agent 26 is 2768083-79-8.

What is the molecular formula and weight of Anticancer agent 26?

The molecular formula of Anticancer agent 26 is C28H33NO5 and its molar mass is 463.57 g/mol.

What is Anticancer agent 26 used for?

Known uses and roles of Anticancer agent 26 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Anticancer agent 26 hazardous?

No GHS hazard classification for Anticancer agent 26 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 26?

Anticancer agent 26 is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Anticancer agent 26?

Post a free request on CompoundList and suppliers of Anticancer agent 26 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Anticancer agent 26?

Suppliers quote Anticancer agent 26 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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