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Impurities and reference standards

Methyl phaeophorbide

Also known as methyl pheophorbide-a, Phaeophorbid A, methyl ester, Methylbacteriopheophorbide

CAS 5594-30-9Formula C36H38N4O5Molar mass 606.72 g/molEC 227-007-3
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Methyl phaeophorbide chemical structure, C36H38N4O5, CAS 5594-30-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5594-30-9
Formula
C36H38N4O5
Molar mass
606.72 g/mol
EC number
227-007-3
HS code
293399
Category
Impurities and reference standards

What is Methyl phaeophorbide?

Plain description, key identifiers and synonyms

Methyl phaeophorbide is a chemical substance with the molecular formula C36H38N4O5 and a molar mass of 606.72 g/mol. Its CAS registry number is 5594-30-9. The IUPAC name is methyl 16-ethenyl-11-ethyl-4-hydroxy-22-(3-methoxy-3-oxopropyl)-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-undecaene-3-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 16-ethenyl-11-ethyl-4-hydroxy-22-(3-methoxy-3-oxopropyl)-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-undecaene-3-carboxylate
CAS number
5594-30-9
EC number
227-007-3
Molecular formula
C36H38N4O5
InChIKey
HUXSMOZWPXDRTN-UHFFFAOYSA-N
InChI
InChI=1S/C36H38N4O5/c1-9-20-16(3)23-13-25-18(5)22(11-12-29(41)44-7)33(39-25)31-32(36(43)45-8)35(42)30-19(6)26(40-34(30)31)15-28-21(10-2)17(4)24(38-28)14-27(20)37-23/h9,13-15,18,22,32,39,42H,1,10-12H2,2-8H3
SMILES (canonical and isomeric)
CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OC)C4=N3)C(=O)OC)O)C)C

Synonyms

  • methyl pheophorbide-a
  • Phaeophorbid A, methyl ester
  • Methylbacteriopheophorbide
  • Methylpheophorbide
  • Methyl phaeophorbide A
  • methyl pheophorbide
  • Chlorophyll Impurity 1
  • Methyl phaeophorbide, Phaeophorbid A, methyl ester
  • methyl ethyl-(3-methoxy-3-oxo-propyl)-tetramethyl-oxo-vinyl-[?]carboxylate
  • 3-Phorbinepropionic acid,8,13,18-tetramethyl-20-oxo-9-vinyl-, dimethyl ester
  • 3-Phorbinepropanoic acid, 9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-, methyl ester, (3S-(3alpha,4beta,21beta))-
  • 3-Phorbinepropanoic acid,8,13,18-tetramethyl-20-oxo-, methyl ester, [3S-(3alpha,4beta,21beta)]-
  • 3-Phorbinepropionic acid, 21-carboxy-14-ethyl-4,8,13,18-tetramethyl-20-oxo-9-vinyl-, dimethyl ester (VAN)
  • Methyl (3S-(3alpha,4beta,21beta))-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionate

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
606.72 g/molcalc.
Exact mass
606.2842 Dacalc.
LogP (octanol/water)
6.2calc.
Topological polar surface area
121.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
9calc.
Rotatable bonds
6calc.
Heavy atoms
45calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
3calc.
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.

Methyl phaeophorbide suppliers

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

Frequently asked questions

Quick answers about Methyl phaeophorbide, based on the data on this page

What is Methyl phaeophorbide?

Methyl phaeophorbide is a chemical substance with the molecular formula C36H38N4O5 and a molar mass of 606.72 g/mol. Its CAS registry number is 5594-30-9.

What is the CAS number of Methyl phaeophorbide?

The CAS registry number of Methyl phaeophorbide is 5594-30-9.

What is the molecular formula and weight of Methyl phaeophorbide?

The molecular formula of Methyl phaeophorbide is C36H38N4O5 and its molar mass is 606.72 g/mol.

Is Methyl phaeophorbide hazardous?

No GHS hazard classification for Methyl phaeophorbide 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 Methyl phaeophorbide?

Methyl phaeophorbide 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 Methyl phaeophorbide?

CompoundList lists 1 supplier of Methyl phaeophorbide in Taiwan. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Methyl phaeophorbide?

Suppliers quote Methyl phaeophorbide 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 Methyl phaeophorbide

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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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