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Screening compounds

Orb1698019

Also known as (S)-8-azido-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one, 8-Azido-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one, 8-azido-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one

CAS 1839081-05-8Formula C17H16F3N5O3SMolar mass 427.41 g/mol
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Orb1698019 chemical structure, C17H16F3N5O3S, CAS 1839081-05-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1839081-05-8
Formula
C17H16F3N5O3S
Molar mass
427.41 g/mol
HS code
293499
Category
Screening compounds

What is Orb1698019?

Plain description, key identifiers and synonyms

Orb1698019 is a chemical substance with the molecular formula C17H16F3N5O3S and a molar mass of 427.41 g/mol. Its CAS registry number is 1839081-05-8. The IUPAC name is 8-azido-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
8-azido-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one
CAS number
1839081-05-8
Molecular formula
C17H16F3N5O3S
InChIKey
BXOYTROLGQRAES-VIFPVBQESA-N
InChI
InChI=1S/C17H16F3N5O3S/c1-9-8-27-16(28-9)2-4-25(5-3-16)15-22-14(26)11-6-10(17(18,19)20)7-12(23-24-21)13(11)29-15/h6-7,9H,2-5,8H2,1H3/t9-/m0/s1
Canonical SMILES
CC1COC2(CCN(c3nc(=O)c4cc(C(F)(F)F)cc(N=[N+]=[N-])c4s3)CC2)O1
Isomeric SMILES
C[C@H]1COC2(O1)CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)N=[N+]=[N-]

Synonyms

  • (S)-8-azido-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)-4H-benzo[e][1,3]thiazin-4-one
  • 8-Azido-2-[(2S)-2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl]-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
  • 8-azido-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one

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
427.41 g/molcalc.
Exact mass
427.0926 Dacalc.
LogP (octanol/water)
4.35calc.
Topological polar surface area
100.4 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.53calc.
Formal charge
0calc.
Stereocentres
1calc.
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=c1nc(N2CCC3(CC2)OCCO3)sc2ccccc12

O=c1nc(N2CCC3(CC2)OCCO3)sc2ccccc12

4 rings, 21 atoms.

4 other chemicals 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.

Orb1698019 suppliers

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Orb1698019 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 Orb1698019 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 Orb1698019 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1698019, based on the data on this page

What is Orb1698019?

Orb1698019 is a chemical substance with the molecular formula C17H16F3N5O3S and a molar mass of 427.41 g/mol. Its CAS registry number is 1839081-05-8. The IUPAC name is 8-azido-2-[(3S)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-6-(trifluoromethyl)-1,3-benzothiazin-4-one.

What is the CAS number of Orb1698019?

The CAS registry number of Orb1698019 is 1839081-05-8.

What is the molecular formula and weight of Orb1698019?

The molecular formula of Orb1698019 is C17H16F3N5O3S and its molar mass is 427.41 g/mol.

What is Orb1698019 used for?

Known uses and roles of Orb1698019 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1698019 hazardous?

No GHS hazard classification for Orb1698019 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 Orb1698019?

Orb1698019 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 Orb1698019?

Post a free request on CompoundList and suppliers of Orb1698019 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1698019?

Suppliers quote Orb1698019 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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