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Screening compounds

Orbitazine

Also known as N'-(3-Allyl-2-hydroxybenzylidene)-2-(4-benzyl-1,4-homopiperazin-1-yl)acetylhydrazine, 1H-1,4-Diazepine-1-acetic acid, hexahydro-4-(phenylmethyl)-, 2-((2-hydroxy-3-(2-propen-1-yl)phenyl)methylene)hydrazide, Hexahydro-4-(phenylmethyl)-1H-1,4-diazepine-1-acetic acid (2E)-2-((2-hydroxy-3-(2-propen-1-yl)phenyl)methylene)hydrazide

CAS 1186016-58-9Formula C24H30N4O2Molar mass 406.53 g/mol
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Orbitazine chemical structure, C24H30N4O2, CAS 1186016-58-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1186016-58-9
Formula
C24H30N4O2
Molar mass
406.53 g/mol
HS code
293399
Category
Screening compounds

What is Orbitazine?

Plain description, key identifiers and synonyms

Orbitazine is a chemical substance with the molecular formula C24H30N4O2 and a molar mass of 406.53 g/mol. Its CAS registry number is 1186016-58-9. The IUPAC name is 2-(4-benzyl-1,4-diazepan-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(4-benzyl-1,4-diazepan-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide
CAS number
1186016-58-9
Molecular formula
C24H30N4O2
UNII
EPM5NPG4E4
InChIKey
FSTUIKHIDSXUFY-KOEQRZSOSA-N
InChI
InChI=1S/C24H30N4O2/c1-2-8-21-11-6-12-22(24(21)30)17-25-26-23(29)19-28-14-7-13-27(15-16-28)18-20-9-4-3-5-10-20/h2-6,9-12,17,30H,1,7-8,13-16,18-19H2,(H,26,29)/b25-17+
Canonical SMILES
C=CCc1cccc(C=NNC(=O)CN2CCCN(Cc3ccccc3)CC2)c1O
Isomeric SMILES
C=CCC1=C(C(=CC=C1)/C=N/NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3)O

Synonyms

  • N'-(3-Allyl-2-hydroxybenzylidene)-2-(4-benzyl-1,4-homopiperazin-1-yl)acetylhydrazine
  • 1H-1,4-Diazepine-1-acetic acid, hexahydro-4-(phenylmethyl)-, 2-((2-hydroxy-3-(2-propen-1-yl)phenyl)methylene)hydrazide
  • Hexahydro-4-(phenylmethyl)-1H-1,4-diazepine-1-acetic acid (2E)-2-((2-hydroxy-3-(2-propen-1-yl)phenyl)methylene)hydrazide
  • 1H-1,4-Diazepine-1-acetic acid, hexahydro-4-(phenylmethyl)-, 2-[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]hydrazide
  • Hexahydro-4-(phenylmethyl)-1H-1,4-diazepine-1-acetic acid (2E)-2-[[2-hydroxy-3-(2-propen-1-yl)phenyl]methylene]hydrazide

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
406.53 g/molcalc.
Exact mass
406.2369 Dacalc.
LogP (octanol/water)
2.78calc.
Topological polar surface area
68.17 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
8calc.
Heavy atoms
30calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
0calc.
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, O=C(CN1CCCN(Cc2ccccc2)CC1)NN=Cc1ccccc1

O=C(CN1CCCN(Cc2ccccc2)CC1)NN=Cc1ccccc1

3 rings, 26 atoms.

1 other chemical 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.

Orbitazine suppliers

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Orbitazine 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 Orbitazine is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Orbitazine?

Orbitazine is a chemical substance with the molecular formula C24H30N4O2 and a molar mass of 406.53 g/mol. Its CAS registry number is 1186016-58-9. The IUPAC name is 2-(4-benzyl-1,4-diazepan-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]acetamide.

What is the CAS number of Orbitazine?

The CAS registry number of Orbitazine is 1186016-58-9.

What is the molecular formula and weight of Orbitazine?

The molecular formula of Orbitazine is C24H30N4O2 and its molar mass is 406.53 g/mol.

What is Orbitazine used for?

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

Is Orbitazine hazardous?

No GHS hazard classification for Orbitazine 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 Orbitazine?

Orbitazine is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orbitazine?

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

What is the price of Orbitazine?

Suppliers quote Orbitazine 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 Orbitazine

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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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