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Isotope-labelled compounds

Phenprocoumon-d5

Also known as 4-hydroxy-3-[1-(2,3,4,5,6-pentadeuteriophenyl)propyl]chromen-2-one, Phenprocoumon-d, 4-hydroxy-3-(1-(phenyl-d5)propyl)-2H-chromen-2-one

CAS 121513-38-0Formula C18H16O3Molar mass 285.35 g/mol
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Phenprocoumon-d5 chemical structure, C18H16O3, CAS 121513-38-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
121513-38-0
Formula
C18H16O3
Molar mass
285.35 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Phenprocoumon-d5?

Plain description, key identifiers and synonyms

Phenprocoumon-d5 is a chemical substance with the molecular formula C18H16O3 and a molar mass of 285.35 g/mol. Its CAS registry number is 121513-38-0. The IUPAC name is 4-hydroxy-3-[1-(2,3,4,5,6-pentadeuteriophenyl)propyl]chromen-2-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-hydroxy-3-[1-(2,3,4,5,6-pentadeuteriophenyl)propyl]chromen-2-one
CAS number
121513-38-0
Molecular formula
C18H16O3
InChIKey
DQDAYGNAKTZFIW-YQYLVRRTSA-N
InChI
InChI=1S/C18H16O3/c1-2-13(12-8-4-3-5-9-12)16-17(19)14-10-6-7-11-15(14)21-18(16)20/h3-11,13,19H,2H2,1H3/i3D,4D,5D,8D,9D
Canonical SMILES
CCC(c1ccccc1)c1c(O)c2ccccc2oc1=O
Isomeric SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(CC)C2=C(C3=CC=CC=C3OC2=O)O)[2H])[2H]

Synonyms

  • 4-hydroxy-3-[1-(2,3,4,5,6-pentadeuteriophenyl)propyl]chromen-2-one
  • Phenprocoumon-d
  • 4-hydroxy-3-(1-(phenyl-d5)propyl)-2H-chromen-2-one
  • 3-[2-[(2,3,4,5,6-2H5)Phenyl]propyl]-4-hydroxy-2H-1-benzopyran-2-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
285.35 g/molcalc.
Exact mass
285.1413 Dacalc.
LogP (octanol/water)
4.04calc.
Topological polar surface area
50.44 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.17calc.
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=c1oc2ccccc2cc1Cc1ccccc1

O=c1oc2ccccc2cc1Cc1ccccc1

3 rings, 18 atoms, the 3-Benzyl-2H-1-benzopyran-2-one ring system.

221 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.

Phenprocoumon-d5 suppliers

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Phenprocoumon-d5 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 Phenprocoumon-d5 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Phenprocoumon-d5 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Phenprocoumon-d5, based on the data on this page

What is Phenprocoumon-d5?

Phenprocoumon-d5 is a chemical substance with the molecular formula C18H16O3 and a molar mass of 285.35 g/mol. Its CAS registry number is 121513-38-0. The IUPAC name is 4-hydroxy-3-[1-(2,3,4,5,6-pentadeuteriophenyl)propyl]chromen-2-one.

What is the CAS number of Phenprocoumon-d5?

The CAS registry number of Phenprocoumon-d5 is 121513-38-0.

What is the molecular formula and weight of Phenprocoumon-d5?

The molecular formula of Phenprocoumon-d5 is C18H16O3 and its molar mass is 285.35 g/mol.

What is Phenprocoumon-d5 used for?

Known uses and roles of Phenprocoumon-d5 include isotope-labelled compounds in research and laboratory.

Is Phenprocoumon-d5 hazardous?

No GHS hazard classification for Phenprocoumon-d5 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 Phenprocoumon-d5?

Phenprocoumon-d5 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phenprocoumon-d5?

Post a free request on CompoundList and suppliers of Phenprocoumon-d5 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Phenprocoumon-d5?

Suppliers quote Phenprocoumon-d5 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 Phenprocoumon-d5

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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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