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Heterocyclic building blocks

Multifungin

Also known as Multifugin, 5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide, 2-hydroxybenzoic acid, N-phenyl-1-(1-phenylethyl)piperidin-4-amine

CAS 39442-77-8Formula C39H39BrClN3O5Molar mass 745.11 g/mol
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Multifungin chemical structure, C39H39BrClN3O5, CAS 39442-77-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
39442-77-8
Formula
C39H39BrClN3O5
Molar mass
745.11 g/mol
HS code
293339
Category
Heterocyclic building blocks

What is Multifungin?

Plain description, key identifiers and synonyms

Multifungin is a chemical substance with the molecular formula C39H39BrClN3O5 and a molar mass of 745.11 g/mol. Its CAS registry number is 39442-77-8. The IUPAC name is 5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide, 2-hydroxybenzoic acid, N-phenyl-1-(1-phenylethyl)piperidin-4-amine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide, 2-hydroxybenzoic acid, N-phenyl-1-(1-phenylethyl)piperidin-4-amine
CAS number
39442-77-8
Molecular formula
C39H39BrClN3O5
InChIKey
BBWRTUUZFUYMGG-UHFFFAOYSA-N
InChI
InChI=1S/C19H24N2.C13H9BrClNO2.C7H6O3/c1-16(17-8-4-2-5-9-17)21-14-12-19(13-15-21)20-18-10-6-3-7-11-18;14-8-1-6-12(17)11(7-8)13(18)16-10-4-2-9(15)3-5-10;8-6-4-2-1-3-5(6)7(9)10/h2-11,16,19-20H,12-15H2,1H3;1-7,17H,(H,16,18);1-4,8H,(H,9,10)
SMILES (canonical and isomeric)
CC(C1=CC=CC=C1)N2CCC(CC2)NC3=CC=CC=C3.C1=CC=C(C(=C1)C(=O)O)O.C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Cl

Synonyms

  • Multifugin
  • 5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide, 2-hydroxybenzoic acid, N-phenyl-1-(1-phenylethyl)piperidin-4-amine

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
745.11 g/molcalc.
Exact mass
743.1762 Dacalc.
LogP (octanol/water)
9.47calc.
Topological polar surface area
122.1 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
49calc.
Rings
6calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.18calc.
Formal charge
0calc.
Stereocentres
1calc.
Components
3calc.
Lipinski rule of five
Fails (2 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.

Multifungin suppliers

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Multifungin 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 Multifungin 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 Multifungin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Multifungin?

Multifungin is a chemical substance with the molecular formula C39H39BrClN3O5 and a molar mass of 745.11 g/mol. Its CAS registry number is 39442-77-8. The IUPAC name is 5-bromo-N-(4-chlorophenyl)-2-hydroxybenzamide, 2-hydroxybenzoic acid, N-phenyl-1-(1-phenylethyl)piperidin-4-amine.

What is the CAS number of Multifungin?

The CAS registry number of Multifungin is 39442-77-8.

What is the molecular formula and weight of Multifungin?

The molecular formula of Multifungin is C39H39BrClN3O5 and its molar mass is 745.11 g/mol.

What is Multifungin used for?

Known uses and roles of Multifungin include building blocks in research and laboratory.

Is Multifungin hazardous?

No GHS hazard classification for Multifungin 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 Multifungin?

Multifungin 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 Multifungin?

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

What is the price of Multifungin?

Suppliers quote Multifungin 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 Multifungin

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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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