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Screening compounds

Isofentanyl, trans-

Also known as trans-Isofentanyl

CAS 79278-41-4Formula C22H28N2OMolar mass 336.48 g/mol
Prohibited, not for trade
Why it is not for trade
Isofentanyl, trans- chemical structure, C22H28N2O, CAS 79278-41-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79278-41-4
Formula
C22H28N2O
Molar mass
336.48 g/mol
HS code
293339
Category
Screening compounds

What is Isofentanyl, trans-?

Plain description, key identifiers and synonyms

Isofentanyl, trans- is a chemical substance with the molecular formula C22H28N2O and a molar mass of 336.48 g/mol. Its CAS registry number is 79278-41-4. The IUPAC name is N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-phenylpropanamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-phenylpropanamide
CAS number
79278-41-4 CAS number cross-checked
Molecular formula
C22H28N2O
UNII
N6NP5CCB7G
InChIKey
MSAFCEWTMBDBFQ-WIYYLYMNSA-N
InChI
InChI=1S/C22H28N2O/c1-3-22(25)24(20-12-8-5-9-13-20)21-14-15-23(16-18(21)2)17-19-10-6-4-7-11-19/h4-13,18,21H,3,14-17H2,1-2H3/t18-,21-/m1/s1
Canonical SMILES
CCC(=O)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1C
Isomeric SMILES
CCC(=O)N([C@@H]1CCN(C[C@H]1C)CC2=CC=CC=C2)C3=CC=CC=C3

Synonyms

  • trans-Isofentanyl

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
336.48 g/molcalc.
Exact mass
336.2202 Dacalc.
LogP (octanol/water)
4.34calc.
Topological polar surface area
23.55 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
5calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
2calc.
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, c1ccc(CN2CCC(Nc3ccccc3)CC2)cc1

c1ccc(CN2CCC(Nc3ccccc3)CC2)cc1

3 rings, 20 atoms, the N-Phenyl-1-(phenylmethyl)-4-piperidinamine ring system.

144 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.

Isofentanyl, trans- suppliers

Trading restrictions apply to this substance

Narcotic drug

Isofentanyl, trans- is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Single Convention on Narcotic Drugs 1961

Our policy on controlled substances

Isofentanyl, trans- price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

Narcotic drug

Isofentanyl, trans- is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Single Convention on Narcotic Drugs 1961

Our policy on controlled substances

Controls

  • Controlled narcotic drug

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isofentanyl, trans- 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 Isofentanyl, trans- is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Isofentanyl, trans-, based on the data on this page

What is Isofentanyl, trans-?

Isofentanyl, trans- is a chemical substance with the molecular formula C22H28N2O and a molar mass of 336.48 g/mol. Its CAS registry number is 79278-41-4. The IUPAC name is N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-phenylpropanamide.

What is the CAS number of Isofentanyl, trans-?

The CAS registry number of Isofentanyl, trans- is 79278-41-4.

What is the molecular formula and weight of Isofentanyl, trans-?

The molecular formula of Isofentanyl, trans- is C22H28N2O and its molar mass is 336.48 g/mol.

What is Isofentanyl, trans- used for?

Known uses and roles of Isofentanyl, trans- include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Isofentanyl, trans- hazardous?

No GHS hazard classification for Isofentanyl, trans- 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 Isofentanyl, trans-?

Isofentanyl, trans- 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.

Can I buy Isofentanyl, trans- on CompoundList?

No. Isofentanyl, trans- is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle Isofentanyl, trans-

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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