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Heterocyclic compounds

Orb2802541

CAS 3059122-56-1Formula C22H24F3N6Na2O6PMolar mass 602.42 g/mol
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Orb2802541 chemical structure, C22H24F3N6Na2O6P, CAS 3059122-56-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3059122-56-1
Formula
C22H24F3N6Na2O6P
Molar mass
602.42 g/mol
HS code
293499
Category
Heterocyclic compounds

What is Orb2802541?

Plain description, key identifiers and synonyms

Orb2802541 is a chemical substance with the molecular formula C22H24F3N6Na2O6P and a molar mass of 602.42 g/mol. Its CAS registry number is 3059122-56-1. The IUPAC name is disodium, [2-[(4-hydroxycyclohexyl)amino]-9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluorophenyl)iminopurin-7-yl]methyl phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
disodium, [2-[(4-hydroxycyclohexyl)amino]-9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluorophenyl)iminopurin-7-yl]methyl phosphate
CAS number
3059122-56-1
Molecular formula
C22H24F3N6Na2O6P
InChIKey
DVSLWKPZFVGXFA-VLLOZLSVSA-L
InChI
InChI=1S/C22H26F3N6O6P.2Na/c23-12-7-16(24)19(17(25)8-12)28-22-30(11-37-38(33,34)35)18-9-26-21(27-13-1-3-15(32)4-2-13)29-20(18)31(22)14-5-6-36-10-14;;/h7-9,13-15,32H,1-6,10-11H2,(H,26,27,29)(H2,33,34,35);;/q;2*+1/p-2/t13?,14-,15?;;/m0../s1
SMILES
C1COC[C@H]1N2C3=NC(=NC=C3N(C2=NC4=C(C=C(C=C4F)F)F)COP(=O)([O-])[O-])NC5CCC(CC5)O.[Na+].[Na+]

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
602.42 g/molcalc.
Exact mass
602.1242 Dacalc.
LogP (octanol/water)
-4.63calc.
Topological polar surface area
161.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
7calc.
Heavy atoms
40calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
1calc.
Components
3calc.
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, c1ccc(Nc2nc3cnc(NC4CCCCC4)nc3n2C2CCOC2)cc1

c1ccc(Nc2nc3cnc(NC4CCCCC4)nc3n2C2CCOC2)cc1

5 rings, 28 atoms.

2 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.

Orb2802541 suppliers

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Orb2802541 price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Orb2802541 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 Orb2802541 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2802541, based on the data on this page

What is Orb2802541?

Orb2802541 is a chemical substance with the molecular formula C22H24F3N6Na2O6P and a molar mass of 602.42 g/mol. Its CAS registry number is 3059122-56-1. The IUPAC name is disodium, [2-[(4-hydroxycyclohexyl)amino]-9-[(3S)-oxolan-3-yl]-8-(2,4,6-trifluorophenyl)iminopurin-7-yl]methyl phosphate.

What is the CAS number of Orb2802541?

The CAS registry number of Orb2802541 is 3059122-56-1.

What is the molecular formula and weight of Orb2802541?

The molecular formula of Orb2802541 is C22H24F3N6Na2O6P and its molar mass is 602.42 g/mol.

Is Orb2802541 hazardous?

No GHS hazard classification for Orb2802541 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 Orb2802541?

Orb2802541 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 Orb2802541?

Post a free request on CompoundList and suppliers of Orb2802541 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2802541?

Suppliers quote Orb2802541 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 Orb2802541

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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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