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Screening compounds

Exp 9654

Also known as Exp-9654, (1,1'-Biphenyl)-2-carboxylic acid, 4'-((2-(1-butenyl)-4-chloro-5-formyl-1H-imidazol-1-yl)methyl)-, 4'-((2-(1-Butenyl)-4-chloro-5-formyl-1H-imidazol-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid

CAS 129722-03-8Formula C22H19ClN2O3Molar mass 394.86 g/mol
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Exp 9654 chemical structure, C22H19ClN2O3, CAS 129722-03-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
129722-03-8
Formula
C22H19ClN2O3
Molar mass
394.86 g/mol
HS code
293329
Category
Screening compounds

What is Exp 9654?

Plain description, key identifiers and synonyms

Exp 9654 is a chemical substance with the molecular formula C22H19ClN2O3 and a molar mass of 394.86 g/mol. Its CAS registry number is 129722-03-8. The IUPAC name is 2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-formylimidazol-1-yl]methyl]phenyl]benzoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-formylimidazol-1-yl]methyl]phenyl]benzoic acid
CAS number
129722-03-8
Molecular formula
C22H19ClN2O3
InChIKey
AMVRXQXLMVPAGT-FPYGCLRLSA-N
InChI
InChI=1S/C22H19ClN2O3/c1-2-3-8-20-24-21(23)19(14-26)25(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h3-12,14H,2,13H2,1H3,(H,27,28)/b8-3+
Canonical SMILES
CCC=Cc1nc(Cl)c(C=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1
Isomeric SMILES
CC/C=C/C1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C=O)Cl

Synonyms

  • Exp-9654
  • (1,1'-Biphenyl)-2-carboxylic acid, 4'-((2-(1-butenyl)-4-chloro-5-formyl-1H-imidazol-1-yl)methyl)-
  • 4'-((2-(1-Butenyl)-4-chloro-5-formyl-1H-imidazol-1-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid
  • 2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-formylimidazol-1-yl]methyl]phenyl]benzoic acid

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
394.86 g/molcalc.
Exact mass
394.1084 Dacalc.
LogP (octanol/water)
5.19calc.
Topological polar surface area
72.19 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.14calc.
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(-c2ccc(Cn3ccnc3)cc2)cc1

c1ccc(-c2ccc(Cn3ccnc3)cc2)cc1

3 rings, 18 atoms, the 1-(Biphenyl-4-ylmethyl)-1H-imidazole ring system.

29 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.

Exp 9654 suppliers

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Exp 9654 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 Exp 9654 is traded under.

HS 2933.29Indicative HS code

Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…

World exports in 2024
$1.43B
−7.6% vs 2023, imports $1.47B
2019 to 2024
Top exporters
  1. China28.1%
  2. France * partner reported12.7%
  3. India * partner reported10.3%
Top importers
  1. United Kingdom13.0%
  2. United States7.9%
  3. China6.5%

* Partner reported figures, a lower bound.

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

The HS code shown for Exp 9654 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Exp 9654, based on the data on this page

What is Exp 9654?

Exp 9654 is a chemical substance with the molecular formula C22H19ClN2O3 and a molar mass of 394.86 g/mol. Its CAS registry number is 129722-03-8. The IUPAC name is 2-[4-[[2-[(E)-but-1-enyl]-4-chloro-5-formylimidazol-1-yl]methyl]phenyl]benzoic acid.

What is the CAS number of Exp 9654?

The CAS registry number of Exp 9654 is 129722-03-8.

What is the molecular formula and weight of Exp 9654?

The molecular formula of Exp 9654 is C22H19ClN2O3 and its molar mass is 394.86 g/mol.

What is Exp 9654 used for?

Known uses and roles of Exp 9654 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Exp 9654 hazardous?

No GHS hazard classification for Exp 9654 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 Exp 9654?

Exp 9654 is usually classified under HS code 293329 (Compounds containing an unfused imidazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Exp 9654?

Post a free request on CompoundList and suppliers of Exp 9654 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Exp 9654?

Suppliers quote Exp 9654 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 Exp 9654

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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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