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Impurities and reference standards

Emodepside impurity 5

CAS 150749-51-2Formula C64H84N4O12Molar mass 1,101.39 g/mol
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Emodepside impurity 5 chemical structure, C64H84N4O12, CAS 150749-51-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
150749-51-2
Formula
C64H84N4O12
Molar mass
1,101.39 g/mol
HS code
293499
Category
Impurities and reference standards

What is Emodepside impurity 5?

Plain description, key identifiers and synonyms

PF1022B is a cyclooctadepsipeptide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3S,6R,9S,12R,15S,18R,21S,24R)-6,12,18,24-tetrabenzyl-4,10,16,22-tetramethyl-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone
CAS number
150749-51-2
Molecular formula
C64H84N4O12
InChIKey
ILQZHPWFOWCYND-SQZSLCRCSA-N
InChI
InChI=1S/C64H84N4O12/c1-41(2)33-49-61(73)77-54(38-46-27-19-14-20-28-46)58(70)66(10)51(35-43(5)6)63(75)79-56(40-48-31-23-16-24-32-48)60(72)68(12)52(36-44(7)8)64(76)80-55(39-47-29-21-15-22-30-47)59(71)67(11)50(34-42(3)4)62(74)78-53(57(69)65(49)9)37-45-25-17-13-18-26-45/h13-32,41-44,49-56H,33-40H2,1-12H3/t49-,50-,51-,52-,53+,54+,55+,56+/m0/s1
Canonical SMILES
CC(C)CC1C(=O)OC(Cc2ccccc2)C(=O)N(C)C(CC(C)C)C(=O)OC(Cc2ccccc2)C(=O)N(C)C(CC(C)C)C(=O)OC(Cc2ccccc2)C(=O)N(C)C(CC(C)C)C(=O)OC(Cc2ccccc2)C(=O)N1C
Isomeric SMILES
CC(C)C[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)CC2=CC=CC=C2)CC(C)C)C)CC3=CC=CC=C3)CC(C)C)C)CC4=CC=CC=C4)CC(C)C)C)CC5=CC=CC=C5

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
1,101.39 g/molcalc.
Exact mass
1,100.6086 Dacalc.
LogP (octanol/water)
8.11calc.
Topological polar surface area
186.4 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
16calc.
Heavy atoms
80calc.
Rings
5calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
8calc.
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, O=C1CNC(=O)C(Cc2ccccc2)OC(=O)CNC(=O)C(Cc2ccccc2)OC(=O)CNC(=O)C(Cc2ccccc2)OC(=O)CNC(=O)C(Cc2ccccc2)O1

O=C1CNC(=O)C(Cc2ccccc2)OC(=O)CNC(=O)C(Cc2ccccc2)OC(=O)CNC(=O)C(Cc2ccccc2)OC(=O)CNC(=O)C(Cc2ccccc2)O1

5 rings, 60 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.

Emodepside impurity 5 suppliers

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Emodepside impurity 5 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 Emodepside impurity 5 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Emodepside impurity 5 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Emodepside impurity 5, based on the data on this page

What is Emodepside impurity 5?

PF1022B is a cyclooctadepsipeptide.

What is the CAS number of Emodepside impurity 5?

The CAS registry number of Emodepside impurity 5 is 150749-51-2.

What is the molecular formula and weight of Emodepside impurity 5?

The molecular formula of Emodepside impurity 5 is C64H84N4O12 and its molar mass is 1,101.39 g/mol.

Is Emodepside impurity 5 hazardous?

No GHS hazard classification for Emodepside impurity 5 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 Emodepside impurity 5?

Emodepside impurity 5 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Emodepside impurity 5?

Post a free request on CompoundList and suppliers of Emodepside impurity 5 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Emodepside impurity 5?

Suppliers quote Emodepside impurity 5 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 Emodepside impurity 5

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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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