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Screening compounds

Chlorin-e6-trimethyl ester

Also known as CHlorin e6 trimethyl ester, Chlorine e6, trimethyl ester

Formula C37H42N4O6Molar mass 638.77 g/molEC 252-329-6
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Chlorin-e6-trimethyl ester chemical structure, C37H42N4O6
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C37H42N4O6
Molar mass
638.77 g/mol
EC number
252-329-6
HS code
293399
Category
Screening compounds

What is Chlorin-e6-trimethyl ester?

Plain description, key identifiers and synonyms

Chlorin-e6-trimethyl ester is a chemical substance with the molecular formula C37H42N4O6 and a molar mass of 638.77 g/mol. The IUPAC name is methyl 12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylate
EC number
252-329-6
Molecular formula
C37H42N4O6
InChIKey
SLLLYKPHDYTLSL-UHFFFAOYSA-N
InChI
InChI=1S/C37H42N4O6/c1-10-22-18(3)26-15-28-20(5)24(12-13-32(42)45-7)35(40-28)25(14-33(43)46-8)36-34(37(44)47-9)21(6)29(41-36)17-31-23(11-2)19(4)27(39-31)16-30(22)38-26/h10,15-17,20,24,38-39H,1,11-14H2,2-9H3
SMILES (canonical and isomeric)
CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)OC)CC(=O)OC)CCC(=O)OC)C)C)C=C)C

Synonyms

  • CHlorin e6 trimethyl ester
  • Chlorine e6, trimethyl ester

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
638.77 g/molcalc.
Exact mass
638.3104 Dacalc.
LogP (octanol/water)
6.8calc.
Topological polar surface area
136.3 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
8calc.
Heavy atoms
47calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.38calc.
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-e6-trimethyl ester suppliers

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Chlorin-e6-trimethyl ester 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-e6-trimethyl ester 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-e6-trimethyl ester is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Chlorin-e6-trimethyl ester, based on the data on this page

What is Chlorin-e6-trimethyl ester?

Chlorin-e6-trimethyl ester is a chemical substance with the molecular formula C37H42N4O6 and a molar mass of 638.77 g/mol. The IUPAC name is methyl 12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylate.

What is the molecular formula and weight of Chlorin-e6-trimethyl ester?

The molecular formula of Chlorin-e6-trimethyl ester is C37H42N4O6 and its molar mass is 638.77 g/mol.

What is Chlorin-e6-trimethyl ester used for?

Known uses and roles of Chlorin-e6-trimethyl ester include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Chlorin-e6-trimethyl ester hazardous?

No GHS hazard classification for Chlorin-e6-trimethyl ester 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-e6-trimethyl ester?

Chlorin-e6-trimethyl ester 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-e6-trimethyl ester?

Post a free request on CompoundList and suppliers of Chlorin-e6-trimethyl ester will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Chlorin-e6-trimethyl ester?

Suppliers quote Chlorin-e6-trimethyl ester 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 Chlorin-e6-trimethyl ester

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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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