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Screening compounds

Orb3236805

CAS 1778671-05-8Formula C18H21Cl2N5OMolar mass 394.31 g/mol
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Orb3236805 chemical structure, C18H21Cl2N5O, CAS 1778671-05-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1778671-05-8
Formula
C18H21Cl2N5O
Molar mass
394.31 g/mol
HS code
293339
Category
Screening compounds

What is Orb3236805?

Plain description, key identifiers and synonyms

Orb3236805 is a chemical substance with the molecular formula C18H21Cl2N5O and a molar mass of 394.31 g/mol. Its CAS registry number is 1778671-05-8. The IUPAC name is 3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile, dihydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile, dihydrochloride
CAS number
1778671-05-8
Molecular formula
C18H21Cl2N5O
InChIKey
XAQHOBZBBAFJDT-UHFFFAOYSA-N
InChI
InChI=1S/C18H19N5O.2ClH/c1-2-23-8-5-12(6-9-23)24-17-14(10-19)21-11-15-16(17)13-4-3-7-20-18(13)22-15;;/h3-4,7,11-12H,2,5-6,8-9H2,1H3,(H,20,22);2*1H
SMILES (canonical and isomeric)
CCN1CCC(CC1)OC2=C3C4=C(NC3=CN=C2C#N)N=CC=C4.Cl.Cl

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
394.31 g/molcalc.
Exact mass
393.1123 Dacalc.
LogP (octanol/water)
3.69calc.
Topological polar surface area
77.83 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
3calc.
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, c1cnc2[nH]c3cncc(OC4CCNCC4)c3c2c1

c1cnc2[nH]c3cncc(OC4CCNCC4)c3c2c1

4 rings, 20 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.

Orb3236805 suppliers

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Orb3236805 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 Orb3236805 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 Orb3236805 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3236805, based on the data on this page

What is Orb3236805?

Orb3236805 is a chemical substance with the molecular formula C18H21Cl2N5O and a molar mass of 394.31 g/mol. Its CAS registry number is 1778671-05-8. The IUPAC name is 3-(1-ethylpiperidin-4-yl)oxy-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-4-carbonitrile, dihydrochloride.

What is the CAS number of Orb3236805?

The CAS registry number of Orb3236805 is 1778671-05-8.

What is the molecular formula and weight of Orb3236805?

The molecular formula of Orb3236805 is C18H21Cl2N5O and its molar mass is 394.31 g/mol.

What is Orb3236805 used for?

Known uses and roles of Orb3236805 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3236805 hazardous?

No GHS hazard classification for Orb3236805 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 Orb3236805?

Orb3236805 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 Orb3236805?

Post a free request on CompoundList and suppliers of Orb3236805 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3236805?

Suppliers quote Orb3236805 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 Orb3236805

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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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