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Screening compounds

Halitulin

Also known as 5-(4-(7,8-dihydroxyquinolin-5-yl)-1-(3-((3R)-3-methylazecan-1-yl)propyl)pyrrol-3-yl)quinoline-7,8-diol, 5-(4-(7,8-dihydroxyquinolin-5-yl)-1-(3-((3S)-3-methylazecan-1-yl)propyl)pyrrol-3-yl)quinoline-7,8-diol, 5-(4-(7,8-dihydroxyquinolin-5-yl)-1-(3-(3-methylazecan-1-yl)propyl)pyrrol-3-yl)quinoline-7,8-diol

CAS 221367-90-4Formula C35H40N4O4Molar mass 580.73 g/mol
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Halitulin chemical structure, C35H40N4O4, CAS 221367-90-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
221367-90-4
Formula
C35H40N4O4
Molar mass
580.73 g/mol
HS code
293349
Category
Screening compounds

What is Halitulin?

Plain description, key identifiers and synonyms

Halitulin is a chemical substance with the molecular formula C35H40N4O4 and a molar mass of 580.73 g/mol. Its CAS registry number is 221367-90-4. The IUPAC name is 5-[4-(7,8-dihydroxyquinolin-5-yl)-1-[3-[(3R)-3-methylazecan-1-yl]propyl]pyrrol-3-yl]quinoline-7,8-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[4-(7,8-dihydroxyquinolin-5-yl)-1-[3-[(3R)-3-methylazecan-1-yl]propyl]pyrrol-3-yl]quinoline-7,8-diol
CAS number
221367-90-4
Molecular formula
C35H40N4O4
InChIKey
LXQYEHATTLKGJN-HSZRJFAPSA-N
InChI
InChI=1S/C35H40N4O4/c1-23-10-5-3-2-4-6-15-38(20-23)16-9-17-39-21-28(26-18-30(40)34(42)32-24(26)11-7-13-36-32)29(22-39)27-19-31(41)35(43)33-25(27)12-8-14-37-33/h7-8,11-14,18-19,21-23,40-43H,2-6,9-10,15-17,20H2,1H3/t23-/m1/s1
Canonical SMILES
CC1CCCCCCCN(CCCn2cc(-c3cc(O)c(O)c4ncccc34)c(-c3cc(O)c(O)c4ncccc34)c2)C1
Isomeric SMILES
C[C@@H]1CCCCCCCN(C1)CCCN2C=C(C(=C2)C3=CC(=C(C4=C3C=CC=N4)O)O)C5=CC(=C(C6=C5C=CC=N6)O)O

Synonyms

  • 5-(4-(7,8-dihydroxyquinolin-5-yl)-1-(3-((3R)-3-methylazecan-1-yl)propyl)pyrrol-3-yl)quinoline-7,8-diol
  • 5-(4-(7,8-dihydroxyquinolin-5-yl)-1-(3-((3S)-3-methylazecan-1-yl)propyl)pyrrol-3-yl)quinoline-7,8-diol
  • 5-(4-(7,8-dihydroxyquinolin-5-yl)-1-(3-(3-methylazecan-1-yl)propyl)pyrrol-3-yl)quinoline-7,8-diol

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
580.73 g/molcalc.
Exact mass
580.305 Dacalc.
LogP (octanol/water)
7.42calc.
Topological polar surface area
114.9 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
43calc.
Rings
6calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.37calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1cc(-c2cn(CCCN3CCCCCCCCC3)cc2-c2cccc3ncccc23)c2cccnc2c1

c1cc(-c2cn(CCCN3CCCCCCCCC3)cc2-c2cccc3ncccc23)c2cccnc2c1

6 rings, 38 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.

Halitulin suppliers

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Halitulin 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 Halitulin is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Halitulin?

Halitulin is a chemical substance with the molecular formula C35H40N4O4 and a molar mass of 580.73 g/mol. Its CAS registry number is 221367-90-4. The IUPAC name is 5-[4-(7,8-dihydroxyquinolin-5-yl)-1-[3-[(3R)-3-methylazecan-1-yl]propyl]pyrrol-3-yl]quinoline-7,8-diol.

What is the CAS number of Halitulin?

The CAS registry number of Halitulin is 221367-90-4.

What is the molecular formula and weight of Halitulin?

The molecular formula of Halitulin is C35H40N4O4 and its molar mass is 580.73 g/mol.

What is Halitulin used for?

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

Is Halitulin hazardous?

No GHS hazard classification for Halitulin 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 Halitulin?

Halitulin is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Halitulin?

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

What is the price of Halitulin?

Suppliers quote Halitulin 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 Halitulin

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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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