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Nucleosides and nucleotides

Orb2646143

CAS 663941-66-0Formula C19H19ClN5O8PSMolar mass 543.88 g/mol
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Orb2646143 chemical structure, C19H19ClN5O8PS, CAS 663941-66-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
663941-66-0
Formula
C19H19ClN5O8PS
Molar mass
543.88 g/mol
HS code
293499
Category
Nucleosides and nucleotides

What is Orb2646143?

Plain description, key identifiers and synonyms

Orb2646143 is a chemical substance with the molecular formula C19H19ClN5O8PS and a molar mass of 543.88 g/mol. Its CAS registry number is 663941-66-0. The IUPAC name is [(4aR,6R,7R,7aS)-6-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl acetate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(4aR,6R,7R,7aS)-6-[6-amino-8-(4-chlorophenyl)sulfanylpurin-9-yl]-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]oxymethyl acetate
CAS number
663941-66-0
Molecular formula
C19H19ClN5O8PS
InChIKey
XXDWNMLPFMCWLU-VWPRILESSA-N
InChI
InChI=1S/C19H19ClN5O8PS/c1-9(26)29-8-31-34(28)30-6-12-15(33-34)14(27)18(32-12)25-17-13(16(21)22-7-23-17)24-19(25)35-11-4-2-10(20)3-5-11/h2-5,7,12,14-15,18,27H,6,8H2,1H3,(H2,21,22,23)/t12-,14-,15-,18-,34?/m1/s1
Canonical SMILES
CC(=O)OCOP1(=O)OCC2OC(n3c(Sc4ccc(Cl)cc4)nc4c(N)ncnc43)C(O)C2O1
Isomeric SMILES
CC(=O)OCOP1(=O)OC[C@@H]2[C@@H](O1)[C@H]([C@@H](O2)N3C4=NC=NC(=C4N=C3SC5=CC=C(C=C5)Cl)N)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
543.88 g/molcalc.
Exact mass
543.038 Dacalc.
LogP (octanol/water)
2.53calc.
Topological polar surface area
170.1 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
6calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.37calc.
Formal charge
0calc.
Stereocentres
5calc.
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=[PH]1OCC2OC(n3c(Sc4ccccc4)nc4cncnc43)CC2O1

O=[PH]1OCC2OC(n3c(Sc4ccccc4)nc4cncnc43)CC2O1

5 rings, 26 atoms.

7 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.

Orb2646143 suppliers

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Orb2646143 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

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 Orb2646143 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 Orb2646143 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb2646143, based on the data on this page

What is Orb2646143?

Orb2646143 is a chemical substance with the molecular formula C19H19ClN5O8PS and a molar mass of 543.88 g/mol. Its CAS registry number is 663941-66-0.

What is the CAS number of Orb2646143?

The CAS registry number of Orb2646143 is 663941-66-0.

What is the molecular formula and weight of Orb2646143?

The molecular formula of Orb2646143 is C19H19ClN5O8PS and its molar mass is 543.88 g/mol.

Is Orb2646143 hazardous?

No GHS hazard classification for Orb2646143 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 Orb2646143?

Orb2646143 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 Orb2646143?

Post a free request on CompoundList and suppliers of Orb2646143 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb2646143?

Suppliers quote Orb2646143 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 Orb2646143

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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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