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Screening compounds

Orb3237258

CAS 2084834-44-4Formula C31H34N2O4Molar mass 498.62 g/mol
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Orb3237258 chemical structure, C31H34N2O4, CAS 2084834-44-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2084834-44-4
Formula
C31H34N2O4
Molar mass
498.62 g/mol
HS code
293499
Category
Screening compounds

What is Orb3237258?

Plain description, key identifiers and synonyms

Orb3237258 is a chemical substance with the molecular formula C31H34N2O4 and a molar mass of 498.62 g/mol. Its CAS registry number is 2084834-44-4. The IUPAC name is (2-aminophenyl)-[(1R,2S,6R,14R,15R,16S)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]methanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2-aminophenyl)-[(1R,2S,6R,14R,15R,16S)-5-(cyclopropylmethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]methanone
CAS number
2084834-44-4
Molecular formula
C31H34N2O4
InChIKey
DXOQUNRDOKHZKA-RPPMSMELSA-N
InChI
InChI=1S/C31H34N2O4/c1-35-23-10-9-19-15-24-29-11-12-31(36-2,21(16-29)26(34)20-5-3-4-6-22(20)32)28-30(29,25(19)27(23)37-28)13-14-33(24)17-18-7-8-18/h3-6,9-12,18,21,24,28H,7-8,13-17,32H2,1-2H3/t21-,24-,28-,29-,30+,31-/m1/s1
Canonical SMILES
COc1ccc2c3c1OC1C4(OC)C=CC5(CC4C(=O)c4ccccc4N)C(C2)N(CC2CC2)CCC315
Isomeric SMILES
COC1=C2C3=C(C[C@@H]4[C@@]56[C@]3(CCN4CC7CC7)[C@@H](O2)[C@@](C=C5)([C@H](C6)C(=O)C8=CC=CC=C8N)OC)C=C1

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
498.62 g/molcalc.
Exact mass
498.2519 Dacalc.
LogP (octanol/water)
4.16calc.
Topological polar surface area
74.02 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
37calc.
Rings
9calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
6calc.
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(c1ccccc1)C1CC23C=CC1C1Oc4cccc5c4C12CCN(CC1CC1)C3C5

O=C(c1ccccc1)C1CC23C=CC1C1Oc4cccc5c4C12CCN(CC1CC1)C3C5

9 rings, 32 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.

Orb3237258 suppliers

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Orb3237258 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 Orb3237258 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 Orb3237258 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3237258, based on the data on this page

What is Orb3237258?

Orb3237258 is a chemical substance with the molecular formula C31H34N2O4 and a molar mass of 498.62 g/mol. Its CAS registry number is 2084834-44-4.

What is the CAS number of Orb3237258?

The CAS registry number of Orb3237258 is 2084834-44-4.

What is the molecular formula and weight of Orb3237258?

The molecular formula of Orb3237258 is C31H34N2O4 and its molar mass is 498.62 g/mol.

What is Orb3237258 used for?

Known uses and roles of Orb3237258 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb3237258 hazardous?

No GHS hazard classification for Orb3237258 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 Orb3237258?

Orb3237258 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 Orb3237258?

Post a free request on CompoundList and suppliers of Orb3237258 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3237258?

Suppliers quote Orb3237258 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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