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Screening compounds

Phospholine

Also known as 2H-Pyran-2-one, 6-(3-(2-aminoethyl)-10-cyclohexyl-3,6-dihydroxy-4-(phosphonooxy)-1,7,9-decatrienyl)-5-ethyl-5,6-dihydro-, [(1E,7E,9E)-3-(2-aminoethyl)-10-cyclohexyl-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxydeca-1,7,9-trien-4-yl] dihydrogen phosphate

CAS 124123-09-7Formula C25H40NO8PMolar mass 513.57 g/mol
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Phospholine chemical structure, C25H40NO8P, CAS 124123-09-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
124123-09-7
Formula
C25H40NO8P
Molar mass
513.57 g/mol
HS code
293220
Category
Screening compounds

What is Phospholine?

Plain description, key identifiers and synonyms

Phospholine is a chemical substance with the molecular formula C25H40NO8P and a molar mass of 513.57 g/mol. Its CAS registry number is 124123-09-7. The IUPAC name is [(1E,7E,9E)-3-(2-aminoethyl)-10-cyclohexyl-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxydeca-1,7,9-trien-4-yl] dihydrogen phosphate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1E,7E,9E)-3-(2-aminoethyl)-10-cyclohexyl-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxydeca-1,7,9-trien-4-yl] dihydrogen phosphate
CAS number
124123-09-7Other or deprecated CAS: 122856-26-2
Molecular formula
C25H40NO8P
InChIKey
GAIPQMSJLNWRGC-VYTJGNNZSA-N
InChI
InChI=1S/C25H40NO8P/c1-2-20-12-13-24(28)33-22(20)14-15-25(29,16-17-26)23(34-35(30,31)32)18-21(27)11-7-6-10-19-8-4-3-5-9-19/h6-7,10-15,19-23,27,29H,2-5,8-9,16-18,26H2,1H3,(H2,30,31,32)/b10-6+,11-7+,15-14+
Canonical SMILES
CCC1C=CC(=O)OC1C=CC(O)(CCN)C(CC(O)C=CC=CC1CCCCC1)OP(=O)(O)O
Isomeric SMILES
CCC1C=CC(=O)OC1/C=C/C(CCN)(C(CC(/C=C/C=C/C2CCCCC2)O)OP(=O)(O)O)O

Synonyms

  • 2H-Pyran-2-one, 6-(3-(2-aminoethyl)-10-cyclohexyl-3,6-dihydroxy-4-(phosphonooxy)-1,7,9-decatrienyl)-5-ethyl-5,6-dihydro-
  • [(1E,7E,9E)-3-(2-aminoethyl)-10-cyclohexyl-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxydeca-1,7,9-trien-4-yl] dihydrogen phosphate

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
513.57 g/molcalc.
Exact mass
513.2492 Dacalc.
LogP (octanol/water)
3.05calc.
Topological polar surface area
159.5 Ųcalc.
Hydrogen bond donors
5calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
13calc.
Heavy atoms
35calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
5calc.
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, O=C1C=CCC(C=CCCCCC=CC=CC2CCCCC2)O1

O=C1C=CCC(C=CCCCCC=CC=CC2CCCCC2)O1

2 rings, 23 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.

Phospholine suppliers

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Phospholine 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 Phospholine is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Phospholine?

Phospholine is a chemical substance with the molecular formula C25H40NO8P and a molar mass of 513.57 g/mol. Its CAS registry number is 124123-09-7. The IUPAC name is [(1E,7E,9E)-3-(2-aminoethyl)-10-cyclohexyl-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxydeca-1,7,9-trien-4-yl] dihydrogen phosphate.

What is the CAS number of Phospholine?

The CAS registry number of Phospholine is 124123-09-7. Other or deprecated CAS numbers: 122856-26-2.

What is the molecular formula and weight of Phospholine?

The molecular formula of Phospholine is C25H40NO8P and its molar mass is 513.57 g/mol.

What is Phospholine used for?

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

Is Phospholine hazardous?

No GHS hazard classification for Phospholine 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 Phospholine?

Phospholine is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Phospholine?

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What is the price of Phospholine?

Suppliers quote Phospholine 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 Phospholine

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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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