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Heterocyclic compounds

Neopybuthrin

CAS 50641-85-5Formula C60H82O11Molar mass 979.31 g/mol
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Neopybuthrin chemical structure, C60H82O11, CAS 50641-85-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
50641-85-5
Formula
C60H82O11
Molar mass
979.31 g/mol
HS code
293219
Category
Heterocyclic compounds

What is Neopybuthrin?

Plain description, key identifiers and synonyms

Neopybuthrin is a chemical substance with the molecular formula C60H82O11 and a molar mass of 979.31 g/mol. Its CAS registry number is 50641-85-5. The IUPAC name is 5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole, cis-methyl (1R,3R)-1-(5-benzylfuran-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole, cis-methyl (1R,3R)-1-(5-benzylfuran-3-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate, (2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CAS number
50641-85-5
Molecular formula
C60H82O11
InChIKey
BFFYEBSMBAFJDF-GOOHIXEASA-N
InChI
InChI=1S/C22H26O3.C19H30O5.C19H26O3/c1-15(2)11-19-21(3,4)22(19,20(23)24-5)17-13-18(25-14-17)12-16-9-7-6-8-10-16;1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2;1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h6-11,13-14,19H,12H2,1-5H3;12-13H,3-11,14-15H2,1-2H3;7,9,14,16-17H,1,8,10H2,2-6H3/t19-,22+;;/m1../s1
Canonical SMILES
C=CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O.CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2.COC(=O)C1(c2coc(Cc3ccccc3)c2)C(C=C(C)C)C1(C)C
Isomeric SMILES
CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2.CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C.CC(=C[C@H]1[C@@](C1(C)C)(C2=COC(=C2)CC3=CC=CC=C3)C(=O)OC)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
979.31 g/molcalc.
Exact mass
978.5857 Dacalc.
LogP (octanol/water)
12.62calc.
Topological polar surface area
129 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
23calc.
Heavy atoms
71calc.
Rings
7calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
5calc.
Components
3calc.
Lipinski rule of five
Fails (3 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, c1ccc(Cc2cc(C3CC3)co2)cc1

c1ccc(Cc2cc(C3CC3)co2)cc1

3 rings, 15 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.

Neopybuthrin suppliers

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Neopybuthrin 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Neopybuthrin is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Neopybuthrin?

Neopybuthrin is a chemical substance with the molecular formula C60H82O11 and a molar mass of 979.31 g/mol. Its CAS registry number is 50641-85-5.

What is the CAS number of Neopybuthrin?

The CAS registry number of Neopybuthrin is 50641-85-5.

What is the molecular formula and weight of Neopybuthrin?

The molecular formula of Neopybuthrin is C60H82O11 and its molar mass is 979.31 g/mol.

Is Neopybuthrin hazardous?

No GHS hazard classification for Neopybuthrin 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 Neopybuthrin?

Neopybuthrin is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Neopybuthrin?

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

What is the price of Neopybuthrin?

Suppliers quote Neopybuthrin 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 Neopybuthrin

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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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