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Heterocyclic building blocks

Pyropheophytin a

Also known as 3,7,11,15-Tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoate (3S-(3alpha(2E,7S*,11S*),4beta))-, 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S-(3alpha(2E,7S*,11S*),4beta))-

CAS 14409-87-1Formula C53H72N4O3Molar mass 813.18 g/mol
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Pyropheophytin a chemical structure, C53H72N4O3, CAS 14409-87-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
14409-87-1
Formula
C53H72N4O3
Molar mass
813.18 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Pyropheophytin a?

Plain description, key identifiers and synonyms

Pyropheophytin a is a chemical substance with the molecular formula C53H72N4O3 and a molar mass of 813.18 g/mol. Its CAS registry number is 14409-87-1. The IUPAC name is [(E)-3,7,11,15-tetramethylhexadec-2-enyl] 3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(E)-3,7,11,15-tetramethylhexadec-2-enyl] 3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoate
CAS number
14409-87-1
Molecular formula
C53H72N4O3
InChIKey
IUSUCIVGXUDPPK-DFVLNSGBSA-N
InChI
InChI=1S/C53H72N4O3/c1-12-39-35(8)43-28-45-37(10)41(23-24-50(59)60-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(56-45)42-27-49(58)51-38(11)46(57-53(42)51)30-48-40(13-2)36(9)44(55-48)29-47(39)54-43/h12,25,28-33,37,41,56,58H,1,13-24,26-27H2,2-11H3/b34-25+,45-28?,47-29?,48-30?,52-42?/t32?,33?,37-,41-/m0/s1
Canonical SMILES
C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)C4=C(O)CC(=C5NC(=C2)C(C)C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(CC)=C1C
Isomeric SMILES
CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C4=N3)O)C)C

Synonyms

  • 3,7,11,15-Tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoate (3S-(3alpha(2E,7S*,11S*),4beta))-
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, 3,7,11,15-tetramethyl-2-hexadecenyl ester, (3S-(3alpha(2E,7S*,11S*),4beta))-

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
813.18 g/molcalc.
Exact mass
812.5604 Dacalc.
LogP (octanol/water)
13.55calc.
Topological polar surface area
95.64 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
19calc.
Heavy atoms
60calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
4calc.
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, C1=CC2=NC1=CC1=CC3=CCC(=C4CCC(=CC5=NC(=C2)C=C5)N4)C3=N1

C1=CC2=NC1=CC1=CC3=CCC(=C4CCC(=CC5=NC(=C2)C=C5)N4)C3=N1

6 rings, 26 atoms.

21 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.

Pyropheophytin a suppliers

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Pyropheophytin a price

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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 Pyropheophytin a is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Pyropheophytin a, based on the data on this page

What is Pyropheophytin a?

Pyropheophytin a is a chemical substance with the molecular formula C53H72N4O3 and a molar mass of 813.18 g/mol. Its CAS registry number is 14409-87-1.

What is the CAS number of Pyropheophytin a?

The CAS registry number of Pyropheophytin a is 14409-87-1.

What is the molecular formula and weight of Pyropheophytin a?

The molecular formula of Pyropheophytin a is C53H72N4O3 and its molar mass is 813.18 g/mol.

What is Pyropheophytin a used for?

Known uses and roles of Pyropheophytin a include building blocks in research and laboratory.

Is Pyropheophytin a hazardous?

No GHS hazard classification for Pyropheophytin a 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 Pyropheophytin a?

Pyropheophytin a is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pyropheophytin a?

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

What is the price of Pyropheophytin a?

Suppliers quote Pyropheophytin a 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

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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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