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Screening compounds

Methyl mesopyropheophorbide a

Also known as Methyl 3-[(3S,4S)-9,14-diethyl-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoate

CAS 36151-62-9Formula C34H38N4O3Molar mass 550.70 g/mol
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Methyl mesopyropheophorbide a chemical structure, C34H38N4O3, CAS 36151-62-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
36151-62-9
Formula
C34H38N4O3
Molar mass
550.70 g/mol
HS code
293399
Category
Screening compounds

What is Methyl mesopyropheophorbide a?

Plain description, key identifiers and synonyms

Methyl mesopyropheophorbide a is a chemical substance with the molecular formula C34H38N4O3 and a molar mass of 550.70 g/mol. Its CAS registry number is 36151-62-9. The IUPAC name is methyl 3-[(21S,22S)-11,16-diethyl-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
methyl 3-[(21S,22S)-11,16-diethyl-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
36151-62-9
Molecular formula
C34H38N4O3
InChIKey
KFVJKPWAVITNFD-AVRDEDQJSA-N
InChI
InChI=1S/C34H38N4O3/c1-8-20-16(3)24-13-26-18(5)22(10-11-31(40)41-7)33(37-26)23-12-30(39)32-19(6)27(38-34(23)32)15-29-21(9-2)17(4)25(36-29)14-28(20)35-24/h13-15,18,22,37,39H,8-12H2,1-7H3/t18-,22-/m0/s1
Canonical SMILES
CCC1=C(C)C2=NC1=CC1=C(C)C3=C(O)CC(=C4NC(=CC5=NC(=C2)C(CC)=C5C)C(C)C4CCC(=O)OC)C3=N1
Isomeric SMILES
CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)CC)N5)C)CCC(=O)OC)C4=N3)O)C)C

Synonyms

  • Methyl 3-[(3S,4S)-9,14-diethyl-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoate

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
550.70 g/molcalc.
Exact mass
550.2944 Dacalc.
LogP (octanol/water)
7.02calc.
Topological polar surface area
95.64 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
5calc.
Heavy atoms
41calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
2calc.
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 mesopyropheophorbide a suppliers

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

Frequently asked questions

Quick answers about Methyl mesopyropheophorbide a, based on the data on this page

What is Methyl mesopyropheophorbide a?

Methyl mesopyropheophorbide a is a chemical substance with the molecular formula C34H38N4O3 and a molar mass of 550.70 g/mol. Its CAS registry number is 36151-62-9.

What is the CAS number of Methyl mesopyropheophorbide a?

The CAS registry number of Methyl mesopyropheophorbide a is 36151-62-9.

What is the molecular formula and weight of Methyl mesopyropheophorbide a?

The molecular formula of Methyl mesopyropheophorbide a is C34H38N4O3 and its molar mass is 550.70 g/mol.

What is Methyl mesopyropheophorbide a used for?

Known uses and roles of Methyl mesopyropheophorbide a include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Methyl mesopyropheophorbide a hazardous?

No GHS hazard classification for Methyl mesopyropheophorbide 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 Methyl mesopyropheophorbide a?

Methyl mesopyropheophorbide 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 Methyl mesopyropheophorbide a?

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

What is the price of Methyl mesopyropheophorbide a?

Suppliers quote Methyl mesopyropheophorbide 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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