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Screening compounds

Orb3236908

CAS 3107571-66-1Formula C30H34N8O3Molar mass 554.66 g/mol
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Orb3236908 chemical structure, C30H34N8O3, CAS 3107571-66-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3107571-66-1
Formula
C30H34N8O3
Molar mass
554.66 g/mol
HS code
293499
Category
Screening compounds

What is Orb3236908?

Plain description, key identifiers and synonyms

Orb3236908 is a chemical substance with the molecular formula C30H34N8O3 and a molar mass of 554.66 g/mol. Its CAS registry number is 3107571-66-1. The IUPAC name is (5-amino-3-quinoxalin-2-yl-1,2,4-triazol-1-yl)-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-9-yl]methanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5-amino-3-quinoxalin-2-yl-1,2,4-triazol-1-yl)-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]spiro[2,4-dihydro-1,5-benzodioxepine-3,1'-cyclopropane]-9-yl]methanone
CAS number
3107571-66-1
Molecular formula
C30H34N8O3
InChIKey
REVIGMXLJYNCQJ-IBGZPJMESA-N
InChI
InChI=1S/C30H34N8O3/c1-18(2)36(3)19-10-13-37(15-19)24-9-8-20(25-26(24)41-17-30(11-12-30)16-40-25)28(39)38-29(31)34-27(35-38)23-14-32-21-6-4-5-7-22(21)33-23/h4-9,14,18-19H,10-13,15-17H2,1-3H3,(H2,31,34,35)/t19-/m0/s1
Canonical SMILES
CC(C)N(C)C1CCN(c2ccc(C(=O)n3nc(-c4cnc5ccccc5n4)nc3N)c3c2OCC2(CC2)CO3)C1
Isomeric SMILES
CC(C)N(C)[C@H]1CCN(C1)C2=C3C(=C(C=C2)C(=O)N4C(=NC(=N4)C5=NC6=CC=CC=C6N=C5)N)OCC7(CC7)CO3

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
554.66 g/molcalc.
Exact mass
554.2754 Dacalc.
LogP (octanol/water)
3.63calc.
Topological polar surface area
124.5 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
5calc.
Heavy atoms
41calc.
Rings
7calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (1 violation)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(c1ccc(N2CCCC2)c2c1OCC1(CC1)CO2)n1cnc(-c2cnc3ccccc3n2)n1

O=C(c1ccc(N2CCCC2)c2c1OCC1(CC1)CO2)n1cnc(-c2cnc3ccccc3n2)n1

7 rings, 35 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.

Orb3236908 suppliers

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Orb3236908 price

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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 Orb3236908 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb3236908 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3236908, based on the data on this page

What is Orb3236908?

Orb3236908 is a chemical substance with the molecular formula C30H34N8O3 and a molar mass of 554.66 g/mol. Its CAS registry number is 3107571-66-1.

What is the CAS number of Orb3236908?

The CAS registry number of Orb3236908 is 3107571-66-1.

What is the molecular formula and weight of Orb3236908?

The molecular formula of Orb3236908 is C30H34N8O3 and its molar mass is 554.66 g/mol.

What is Orb3236908 used for?

Known uses and roles of Orb3236908 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3236908 hazardous?

No GHS hazard classification for Orb3236908 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 Orb3236908?

Orb3236908 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb3236908?

Post a free request on CompoundList and suppliers of Orb3236908 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3236908?

Suppliers quote Orb3236908 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

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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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