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Screening compounds

Chloronectrin

Also known as [(E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl] acetate

Formula C25H33ClO6Molar mass 464.99 g/mol
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Chloronectrin chemical structure, C25H33ClO6
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C25H33ClO6
Molar mass
464.99 g/mol
HS code
291539
Category
Screening compounds

What is Chloronectrin?

Plain description, key identifiers and synonyms

Chloronectrin is a chemical substance with the molecular formula C25H33ClO6 and a molar mass of 464.99 g/mol. The IUPAC name is [(E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl] acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl] acetate
Molecular formula
C25H33ClO6
InChIKey
JIHNIFVHUVCKQA-NTUHNPAUSA-N
InChI
InChI=1S/C25H33ClO6/c1-13(7-9-18-23(30)19(12-27)15(3)22(26)24(18)31)21(32-17(5)28)11-25(6)14(2)8-10-20(29)16(25)4/h7,12,14,16,21,30-31H,8-11H2,1-6H3/b13-7+
Canonical SMILES
CC(=O)OC(CC1(C)C(C)CCC(=O)C1C)C(C)=CCc1c(O)c(Cl)c(C)c(C=O)c1O
Isomeric SMILES
CC1CCC(=O)C(C1(C)CC(/C(=C/CC2=C(C(=C(C(=C2O)Cl)C)C=O)O)/C)OC(=O)C)C

Synonyms

  • [(E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl] acetate

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
464.99 g/molcalc.
Exact mass
464.1966 Dacalc.
LogP (octanol/water)
5.32calc.
Topological polar surface area
100.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
32calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (1 violation)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=C1CCCC(CCC=CCc2ccccc2)C1

O=C1CCCC(CCC=CCc2ccccc2)C1

2 rings, 18 atoms.

6 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.

Chloronectrin suppliers

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Chloronectrin 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 Chloronectrin is traded under.

HS 2915.39Indicative HS code

Esters of acetic acid, other

World exports in 2024
$2.03B
+7.9% vs 2023, imports $1.95B
2019 to 2024
Top exporters
  1. China58.0%
  2. United States7.3%
  3. Germany6.5%
Top importers
  1. Singapore15.6%
  2. South Korea7.2%
  3. Indonesia6.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Chloronectrin?

Chloronectrin is a chemical substance with the molecular formula C25H33ClO6 and a molar mass of 464.99 g/mol. The IUPAC name is [(E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl] acetate.

What is the molecular formula and weight of Chloronectrin?

The molecular formula of Chloronectrin is C25H33ClO6 and its molar mass is 464.99 g/mol.

What is Chloronectrin used for?

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

Is Chloronectrin hazardous?

No GHS hazard classification for Chloronectrin 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 Chloronectrin?

Chloronectrin is usually classified under HS code 291539 (Esters of acetic acid, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Chloronectrin?

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

What is the price of Chloronectrin?

Suppliers quote Chloronectrin 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 Chloronectrin

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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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