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Screening compounds

Chlorin E4

Also known as (17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17,20-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid, (7S,8S)-7-(2-Carboxyethyl)-18-ethyl-2,5,8,12,17-pentamethyl-13-vinyl-7H,8H-porphyrin-3-carboxylic acid, 21H,23H-Porphine-7-propanoic acid,3-carboxy-13-ethenyl-18-ethyl-7,8-dihydro-2,5,8,12,17-pentamethyl-,(7s,8s)-

CAS 550-52-7Formula C33H36N4O4Molar mass 552.68 g/mol
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Chlorin E4 chemical structure, C33H36N4O4, CAS 550-52-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
550-52-7
Formula
C33H36N4O4
Molar mass
552.68 g/mol
HS code
293399
Category
Screening compounds

What is Chlorin E4?

Plain description, key identifiers and synonyms

Chlorin E4 is a chemical substance with the molecular formula C33H36N4O4 and a molar mass of 552.68 g/mol. Its CAS registry number is 550-52-7. The IUPAC name is (17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17,20-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17,20-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
CAS number
550-52-7
Molecular formula
C33H36N4O4
InChIKey
AKQWLZLQQVVKCI-JTSKRJEESA-N
InChI
InChI=1S/C33H36N4O4/c1-8-20-15(3)23-12-25-17(5)22(10-11-29(38)39)31(36-25)19(7)32-30(33(40)41)18(6)26(37-32)14-28-21(9-2)16(4)24(35-28)13-27(20)34-23/h8,12-14,17,22,34-35H,1,9-11H2,2-7H3,(H,38,39)(H,40,41)/t17-,22-/m0/s1
Canonical SMILES
C=Cc1c(C)c2cc3nc(c(C)c4nc(cc5[nH]c(cc1[nH]2)c(C)c5CC)C(C)=C4C(=O)O)C(CCC(=O)O)C3C
Isomeric SMILES
CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)C)CCC(=O)O)C)C)C=C)C

Synonyms

  • (17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17,20-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
  • (7S,8S)-7-(2-Carboxyethyl)-18-ethyl-2,5,8,12,17-pentamethyl-13-vinyl-7H,8H-porphyrin-3-carboxylic acid
  • 21H,23H-Porphine-7-propanoic acid,3-carboxy-13-ethenyl-18-ethyl-7,8-dihydro-2,5,8,12,17-pentamethyl-,(7s,8s)-
  • 21H,23H-Porphine-7-propanoicacid,3-carboxy-13-ethenyl-18-ethyl-7,8-dihydro-2,5,8,12,17-pentamethyl-,(7s,8s)-

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
552.68 g/molcalc.
Exact mass
552.2737 Dacalc.
LogP (octanol/water)
7.21calc.
Topological polar surface area
132 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
41calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.33calc.
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=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)CC5)[nH]4)[nH]3

C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)CC5)[nH]4)[nH]3

5 rings, 24 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.

Chlorin E4 suppliers

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Chlorin E4 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 Chlorin E4 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 Chlorin E4 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Chlorin E4, based on the data on this page

What is Chlorin E4?

Chlorin E4 is a chemical substance with the molecular formula C33H36N4O4 and a molar mass of 552.68 g/mol. Its CAS registry number is 550-52-7. The IUPAC name is (17S,18S)-18-(2-carboxyethyl)-12-ethenyl-7-ethyl-3,8,13,17,20-pentamethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid.

What is the CAS number of Chlorin E4?

The CAS registry number of Chlorin E4 is 550-52-7.

What is the molecular formula and weight of Chlorin E4?

The molecular formula of Chlorin E4 is C33H36N4O4 and its molar mass is 552.68 g/mol.

What is Chlorin E4 used for?

Known uses and roles of Chlorin E4 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Chlorin E4 hazardous?

No GHS hazard classification for Chlorin E4 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 Chlorin E4?

Chlorin E4 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 Chlorin E4?

Post a free request on CompoundList and suppliers of Chlorin E4 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Chlorin E4?

Suppliers quote Chlorin E4 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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