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Screening compounds

Exp3312

Also known as Exp 3312, 1H-Imidazole-5-carboxaldehyde, 4-chloro-2-propyl-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, 5-chloro-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde

CAS 114798-35-5Formula C21H19ClN6OMolar mass 406.88 g/mol
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Exp3312 chemical structure, C21H19ClN6O, CAS 114798-35-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
114798-35-5
Formula
C21H19ClN6O
Molar mass
406.88 g/mol
HS code
293329
Category
Screening compounds

What is Exp3312?

Plain description, key identifiers and synonyms

Exp3312 is a chemical substance with the molecular formula C21H19ClN6O and a molar mass of 406.88 g/mol. Its CAS registry number is 114798-35-5. The IUPAC name is 5-chloro-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-chloro-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
CAS number
114798-35-5 CAS number cross-checked
Molecular formula
C21H19ClN6O
InChIKey
IMVDZFOSXJSXFP-UHFFFAOYSA-N
InChI
InChI=1S/C21H19ClN6O/c1-2-5-19-23-20(22)18(13-29)28(19)12-14-8-10-15(11-9-14)16-6-3-4-7-17(16)21-24-26-27-25-21/h3-4,6-11,13H,2,5,12H2,1H3,(H,24,25,26,27)
SMILES (canonical and isomeric)
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C=O)Cl

Synonyms

  • Exp 3312
  • 1H-Imidazole-5-carboxaldehyde, 4-chloro-2-propyl-1-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-
  • 5-chloro-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
  • 2-n-Propyl-4-chloro-1-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)imidazole-5-carboxylaldehyde
  • 4-Chloro-2-propyl-1-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carbaldehyde

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
406.88 g/molcalc.
Exact mass
406.1309 Dacalc.
LogP (octanol/water)
4.2calc.
Topological polar surface area
89.35 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.19calc.
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, c1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3ccnc3)cc2)c1

c1ccc(-c2nn[nH]n2)c(-c2ccc(Cn3ccnc3)cc2)c1

4 rings, 23 atoms.

57 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.

Exp3312 suppliers

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Exp3312 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 Exp3312 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 Exp3312 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Exp3312, based on the data on this page

What is Exp3312?

Exp3312 is a chemical substance with the molecular formula C21H19ClN6O and a molar mass of 406.88 g/mol. Its CAS registry number is 114798-35-5. The IUPAC name is 5-chloro-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde.

What is the CAS number of Exp3312?

The CAS registry number of Exp3312 is 114798-35-5.

What is the molecular formula and weight of Exp3312?

The molecular formula of Exp3312 is C21H19ClN6O and its molar mass is 406.88 g/mol.

What is Exp3312 used for?

Known uses and roles of Exp3312 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Exp3312 hazardous?

No GHS hazard classification for Exp3312 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 Exp3312?

Exp3312 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 Exp3312?

Post a free request on CompoundList and suppliers of Exp3312 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Exp3312?

Suppliers quote Exp3312 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 Exp3312

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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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