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Screening compounds

Orb2665233

CAS 1565828-01-4Formula C33H32F3N3O5Molar mass 607.63 g/mol
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Orb2665233 chemical structure, C33H32F3N3O5, CAS 1565828-01-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1565828-01-4
Formula
C33H32F3N3O5
Molar mass
607.63 g/mol
HS code
293499
Category
Screening compounds

What is Orb2665233?

Plain description, key identifiers and synonyms

Orb2665233 is a chemical substance with the molecular formula C33H32F3N3O5 and a molar mass of 607.63 g/mol. Its CAS registry number is 1565828-01-4. The IUPAC name is N-[(2S,4aS,12aR)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(2S,4aS,12aR)-2-[2-(2,3-dihydro-1H-inden-2-ylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-(trifluoromethyl)benzamide
CAS number
1565828-01-4
Molecular formula
C33H32F3N3O5
InChIKey
CCWJWXJNOLFYBD-RWPDHJIBSA-N
InChI
InChI=1S/C33H32F3N3O5/c1-39-27-12-11-25(17-30(40)37-24-14-20-4-2-3-5-21(20)15-24)44-29(27)18-43-28-13-10-23(16-26(28)32(39)42)38-31(41)19-6-8-22(9-7-19)33(34,35)36/h2-10,13,16,24-25,27,29H,11-12,14-15,17-18H2,1H3,(H,37,40)(H,38,41)/t25-,27-,29-/m0/s1
Canonical SMILES
CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2OCC2OC(CC(=O)NC3Cc4ccccc4C3)CCC21
Isomeric SMILES
CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=C(C=C4)C(F)(F)F)CC(=O)NC5CC6=CC=CC=C6C5

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
607.63 g/molcalc.
Exact mass
607.2294 Dacalc.
LogP (octanol/water)
5.01calc.
Topological polar surface area
96.97 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
44calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=C(CC1CCC2NC(=O)c3cc(NC(=O)c4ccccc4)ccc3OCC2O1)NC1Cc2ccccc2C1

O=C(CC1CCC2NC(=O)c3cc(NC(=O)c4ccccc4)ccc3OCC2O1)NC1Cc2ccccc2C1

6 rings, 39 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.

Orb2665233 suppliers

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Orb2665233 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 Orb2665233 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 Orb2665233 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2665233, based on the data on this page

What is Orb2665233?

Orb2665233 is a chemical substance with the molecular formula C33H32F3N3O5 and a molar mass of 607.63 g/mol. Its CAS registry number is 1565828-01-4.

What is the CAS number of Orb2665233?

The CAS registry number of Orb2665233 is 1565828-01-4.

What is the molecular formula and weight of Orb2665233?

The molecular formula of Orb2665233 is C33H32F3N3O5 and its molar mass is 607.63 g/mol.

What is Orb2665233 used for?

Known uses and roles of Orb2665233 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2665233 hazardous?

No GHS hazard classification for Orb2665233 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 Orb2665233?

Orb2665233 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 Orb2665233?

Post a free request on CompoundList and suppliers of Orb2665233 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2665233?

Suppliers quote Orb2665233 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 Orb2665233

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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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