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Screening compounds

Orb1688671

Also known as 2-(4-bromophenyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

CAS 1572464-22-2Formula C17H15BrO4Molar mass 363.21 g/mol
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Orb1688671 chemical structure, C17H15BrO4, CAS 1572464-22-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1572464-22-2
Formula
C17H15BrO4
Molar mass
363.21 g/mol
HS code
291829
Category
Screening compounds

What is Orb1688671?

Plain description, key identifiers and synonyms

Orb1688671 is a chemical substance with the molecular formula C17H15BrO4 and a molar mass of 363.21 g/mol. Its CAS registry number is 1572464-22-2. The IUPAC name is 2-(4-bromophenyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-(4-bromophenyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CAS number
1572464-22-2
Molecular formula
C17H15BrO4
InChIKey
LZYCAZXTUVKHNO-XBXARRHUSA-N
InChI
InChI=1S/C17H15BrO4/c18-14-5-1-12(2-6-14)9-10-22-17(21)8-4-13-3-7-15(19)16(20)11-13/h1-8,11,19-20H,9-10H2/b8-4+
Canonical SMILES
O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccc(Br)cc1
Isomeric SMILES
C1=CC(=CC=C1CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O)Br

Synonyms

  • 2-(4-bromophenyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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
363.21 g/molcalc.
Exact mass
362.0154 Dacalc.
LogP (octanol/water)
3.66calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
5calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.12calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 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, O=C(C=Cc1ccccc1)OCCc1ccccc1

O=C(C=Cc1ccccc1)OCCc1ccccc1

2 rings, 19 atoms.

52 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.

Orb1688671 suppliers

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Orb1688671 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 Orb1688671 is traded under.

HS 2918.29Indicative HS code

Carboxylic acids, (with phenol function but without other oxygen function), their anhydrides, halides…

World exports in 2024
$861M
+0.9% vs 2023, imports $892M
2019 to 2024
Top exporters
  1. China30.5%
  2. South Korea18.3%
  3. Switzerland * partner reported13.3%
Top importers
  1. United States14.7%
  2. Germany13.3%
  3. Japan10.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1688671 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1688671, based on the data on this page

What is Orb1688671?

Orb1688671 is a chemical substance with the molecular formula C17H15BrO4 and a molar mass of 363.21 g/mol. Its CAS registry number is 1572464-22-2. The IUPAC name is 2-(4-bromophenyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate.

What is the CAS number of Orb1688671?

The CAS registry number of Orb1688671 is 1572464-22-2.

What is the molecular formula and weight of Orb1688671?

The molecular formula of Orb1688671 is C17H15BrO4 and its molar mass is 363.21 g/mol.

What is Orb1688671 used for?

Known uses and roles of Orb1688671 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1688671 hazardous?

No GHS hazard classification for Orb1688671 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 Orb1688671?

Orb1688671 is usually classified under HS code 291829 (Carboxylic acids with phenol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1688671?

Post a free request on CompoundList and suppliers of Orb1688671 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1688671?

Suppliers quote Orb1688671 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 Orb1688671

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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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