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Screening compounds

TE4DK77Gbd

Also known as [1,1':3',1''-Terphenyl]-3,3''-dicarboxylic acid, 5'-[3-(methoxycarbonyl)phenyl]-, dimethyl ester

CAS 221020-99-1Formula C30H24O6Molar mass 480.52 g/mol
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TE4DK77Gbd chemical structure, C30H24O6, CAS 221020-99-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
221020-99-1
Formula
C30H24O6
Molar mass
480.52 g/mol
HS code
291739
Category
Screening compounds

What is TE4DK77Gbd?

Plain description, key identifiers and synonyms

TE4DK77Gbd is a chemical substance with the molecular formula C30H24O6 and a molar mass of 480.52 g/mol. Its CAS registry number is 221020-99-1. The IUPAC name is methyl 3-[3,5-bis(3-methoxycarbonylphenyl)phenyl]benzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl 3-[3,5-bis(3-methoxycarbonylphenyl)phenyl]benzoate
CAS number
221020-99-1
Molecular formula
C30H24O6
UNII
TE4DK77GBD
InChIKey
ZDHDTXJYTQJGJG-UHFFFAOYSA-N
InChI
InChI=1S/C30H24O6/c1-34-28(31)22-10-4-7-19(13-22)25-16-26(20-8-5-11-23(14-20)29(32)35-2)18-27(17-25)21-9-6-12-24(15-21)30(33)36-3/h4-18H,1-3H3
SMILES (canonical and isomeric)
COC(=O)C1=CC=CC(=C1)C2=CC(=CC(=C2)C3=CC(=CC=C3)C(=O)OC)C4=CC(=CC=C4)C(=O)OC

Synonyms

  • [1,1':3',1''-Terphenyl]-3,3''-dicarboxylic acid, 5'-[3-(methoxycarbonyl)phenyl]-, dimethyl 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
480.52 g/molcalc.
Exact mass
480.1573 Dacalc.
LogP (octanol/water)
6.05calc.
Topological polar surface area
78.9 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
6calc.
Heavy atoms
36calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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, c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1

4 rings, 24 atoms, the 1,3,5-Triphenylbenzene ring system.

183 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.

TE4DK77Gbd suppliers

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TE4DK77Gbd 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 TE4DK77Gbd is traded under.

HS 2917.39Indicative HS code

Aromatic polycarboxylic acids, not elsewhere classified in subheading 2917.3

World exports in 2024
$1.87B
+19.8% vs 2023, imports $2.65B
2019 to 2024
Top exporters
  1. China31.7%
  2. South Korea12.9%
  3. United States9.8%
Top importers
  1. Egypt12.7%
  2. United States12.5%
  3. China10.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for TE4DK77Gbd is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about TE4DK77Gbd, based on the data on this page

What is TE4DK77Gbd?

TE4DK77Gbd is a chemical substance with the molecular formula C30H24O6 and a molar mass of 480.52 g/mol. Its CAS registry number is 221020-99-1. The IUPAC name is methyl 3-[3,5-bis(3-methoxycarbonylphenyl)phenyl]benzoate.

What is the CAS number of TE4DK77Gbd?

The CAS registry number of TE4DK77Gbd is 221020-99-1.

What is the molecular formula and weight of TE4DK77Gbd?

The molecular formula of TE4DK77Gbd is C30H24O6 and its molar mass is 480.52 g/mol.

What is TE4DK77Gbd used for?

Known uses and roles of TE4DK77Gbd include building blocks in research and laboratory and screening compounds in research and laboratory.

Is TE4DK77Gbd hazardous?

No GHS hazard classification for TE4DK77Gbd 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 TE4DK77Gbd?

TE4DK77Gbd is usually classified under HS code 291739 (Aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy TE4DK77Gbd?

Post a free request on CompoundList and suppliers of TE4DK77Gbd will send you quotes. Your contact details stay private until you accept a quote.

What is the price of TE4DK77Gbd?

Suppliers quote TE4DK77Gbd 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 TE4DK77Gbd

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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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