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Screening compounds

Anticancer agent 57

CAS 2408017-71-8Formula C20H21Cl2NO2Molar mass 378.30 g/mol
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Anticancer agent 57 chemical structure, C20H21Cl2NO2, CAS 2408017-71-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2408017-71-8
Formula
C20H21Cl2NO2
Molar mass
378.30 g/mol
HS code
292250
Category
Screening compounds

What is Anticancer agent 57?

Plain description, key identifiers and synonyms

Anticancer agent 57 is a chemical substance with the molecular formula C20H21Cl2NO2 and a molar mass of 378.30 g/mol. Its CAS registry number is 2408017-71-8. The IUPAC name is (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-(3-methoxyphenyl)prop-2-en-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-(3-methoxyphenyl)prop-2-en-1-one
CAS number
2408017-71-8
Molecular formula
C20H21Cl2NO2
InChIKey
FDGNRFLWAKBGSV-JXMROGBWSA-N
InChI
InChI=1S/C20H21Cl2NO2/c1-25-19-4-2-3-17(15-19)20(24)10-7-16-5-8-18(9-6-16)23(13-11-21)14-12-22/h2-10,15H,11-14H2,1H3/b10-7+
Canonical SMILES
COc1cccc(C(=O)C=Cc2ccc(N(CCCl)CCCl)cc2)c1
Isomeric SMILES
COC1=CC=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)N(CCCl)CCCl

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
378.30 g/molcalc.
Exact mass
377.0949 Dacalc.
LogP (octanol/water)
4.88calc.
Topological polar surface area
29.54 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
9calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.25calc.
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)c1ccccc1

O=C(C=Cc1ccccc1)c1ccccc1

2 rings, 16 atoms.

2,316 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.

Anticancer agent 57 suppliers

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Anticancer agent 57 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 Anticancer agent 57 is traded under.

HS 2922.50Indicative HS code

Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function

World exports in 2024
$3.29B
−5.9% vs 2023, imports $3.19B
2019 to 2024
Top exporters
  1. China39.2%
  2. United Kingdom27.1%
  3. India * partner reported4.8%
Top importers
  1. United States20.7%
  2. Germany7.6%
  3. Italy6.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Anticancer agent 57 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Anticancer agent 57, based on the data on this page

What is Anticancer agent 57?

Anticancer agent 57 is a chemical substance with the molecular formula C20H21Cl2NO2 and a molar mass of 378.30 g/mol. Its CAS registry number is 2408017-71-8. The IUPAC name is (E)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-(3-methoxyphenyl)prop-2-en-1-one.

What is the CAS number of Anticancer agent 57?

The CAS registry number of Anticancer agent 57 is 2408017-71-8.

What is the molecular formula and weight of Anticancer agent 57?

The molecular formula of Anticancer agent 57 is C20H21Cl2NO2 and its molar mass is 378.30 g/mol.

What is Anticancer agent 57 used for?

Known uses and roles of Anticancer agent 57 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Anticancer agent 57 hazardous?

No GHS hazard classification for Anticancer agent 57 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 Anticancer agent 57?

Anticancer agent 57 is usually classified under HS code 292250 (Amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Anticancer agent 57?

Post a free request on CompoundList and suppliers of Anticancer agent 57 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Anticancer agent 57?

Suppliers quote Anticancer agent 57 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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