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Screening compounds

Orb2278508

Formula C22H27F3N2O5SMolar mass 488.53 g/mol
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Orb2278508 chemical structure, C22H27F3N2O5S
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C22H27F3N2O5S
Molar mass
488.53 g/mol
HS code
293590
Category
Screening compounds

What is Orb2278508?

Plain description, key identifiers and synonyms

Orb2278508 is a chemical substance with the molecular formula C22H27F3N2O5S and a molar mass of 488.53 g/mol. The IUPAC name is N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide, hydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide, hydrate
Molecular formula
C22H27F3N2O5S
InChIKey
SREKDYRFNJBHMF-HLRBRJAUSA-N
InChI
InChI=1S/C22H25F3N2O4S.H2O/c1-22(2,29)21(28)27-8-7-18(26-32(3,30)31)19(27)11-13-5-4-6-17(20(13)25)14-9-15(23)12-16(24)10-14;/h4-6,9-10,12,18-19,26,29H,7-8,11H2,1-3H3;1H2/t18-,19-;/m0./s1
Canonical SMILES
CC(C)(O)C(=O)N1CCC(NS(C)(=O)=O)C1Cc1cccc(-c2cc(F)cc(F)c2)c1F.O
Isomeric SMILES
CC(C)(C(=O)N1CC[C@@H]([C@@H]1CC2=C(C(=CC=C2)C3=CC(=CC(=C3)F)F)F)NS(=O)(=O)C)O.O

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
488.53 g/molcalc.
Exact mass
488.1593 Dacalc.
LogP (octanol/water)
1.78calc.
Topological polar surface area
118.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
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, c1ccc(-c2cccc(CC3CCCN3)c2)cc1

c1ccc(-c2cccc(CC3CCCN3)c2)cc1

3 rings, 18 atoms.

11 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.

Orb2278508 suppliers

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Orb2278508 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 Orb2278508 is traded under.

HS 2935.90Indicative HS code

Sulphonamides, other

World exports in 2024
$5.64B
−11.0% vs 2023, imports $8.56B
2019 to 2024
Top exporters
  1. Ireland43.1%
  2. China12.0%
  3. India * partner reported9.5%
Top importers
  1. United States23.6%
  2. Slovenia19.1%
  3. Spain11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb2278508 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2278508, based on the data on this page

What is Orb2278508?

Orb2278508 is a chemical substance with the molecular formula C22H27F3N2O5S and a molar mass of 488.53 g/mol. The IUPAC name is N-[(2S,3S)-2-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-3-yl]methanesulfonamide, hydrate.

What is the molecular formula and weight of Orb2278508?

The molecular formula of Orb2278508 is C22H27F3N2O5S and its molar mass is 488.53 g/mol.

What is Orb2278508 used for?

Known uses and roles of Orb2278508 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb2278508 hazardous?

No GHS hazard classification for Orb2278508 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 Orb2278508?

Orb2278508 is usually classified under HS code 293590 (Sulphonamides, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb2278508?

Post a free request on CompoundList and suppliers of Orb2278508 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2278508?

Suppliers quote Orb2278508 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 Orb2278508

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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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