Skip to the beginning of the images gallery

Protoporphyrin IX dimethyl ester - ≥90%(HPLC), high purity , CAS No.5522-66-7

COA

Grade & Purity:

≥90%(HPLC)

Cas Number: 5522-66-7
Molecular Weight: 590.71
Beilstein Registry Number: 381574
EC Number: 226-870-3
MDL number: MFCD00064531
PubChem CID: 194637

In stock

Item Number

P298562

Grouped product items
SKU	Size	Availability	Price	Qty
P298562-100mg	100mg	3	$79.90
P298562-500mg	500mg	3	$273.90

Basic Description

Synonyms	Protoporphyrin IX dimethyl ester \| 5522-66-7 \| Protoporphyrin dimethyl ester \| 6164-53-0 \| Ooporpyhrin dimethyl ester \| Protoporphyrin IX, dimethyl ester \| methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propan
Specifications & Purity	≥90%(HPLC)
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	soluble in DMSO,THF,acetone,chloroform,diethyl ether,ethyl acetate and methanol Protoporphyrin IX dimethyl ester has been demonstrated to a potent photosensitizer of human nasopharyngeal carcinoma

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Tetrapyrroles and derivatives
    - Subclass Porphyrins

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Tetrapyrroles and derivatives
Subclass	Porphyrins
Intermediate Tree Nodes	Not available
Direct Parent	Porphyrins
Alternative Parents	Fatty acid esters Substituted pyrroles Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Porphyrin - Fatty acid ester - Fatty acyl - Substituted pyrrole - Dicarboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Pyrrole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
INCHI	InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,37-38H,1-2,11-14H2,3-8H3
InChIKey	LQBPATQBTSBIIH-UHFFFAOYSA-N
Smiles	CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C
Isomeric SMILES	CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C=C)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C=C
WGK Germany	3
PubChem CID	194637
Molecular Weight	590.71
Beilstein	381574

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot Number	Certificate Type	Date	Item
H1817099	Certificate of Analysis	Jun 20, 2022	P298562

Chemical and Physical Properties

Sensitivity	Light & Air sensitive
Molecular Weight	590.700 g/mol
XLogP3	5.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	590.289 Da
Monoisotopic Mass	590.289 Da
Topological Polar Surface Area	110.000 Å²
Heavy Atom Count	44
Formal Charge	0
Complexity	1040.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration