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Heterocyclic building blocks

5Citep

Also known as 1-(5-Chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone, 5-CITEP, (Z)-3-(5-chloro-1H-indol-3-yl)-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one

CAS 245426-70-4Formula C12H8ClN5O2Molar mass 289.68 g/mol
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5Citep chemical structure, C12H8ClN5O2, CAS 245426-70-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
245426-70-4
Formula
C12H8ClN5O2
Molar mass
289.68 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is 5Citep?

Plain description, key identifiers and synonyms

5Citep is a chemical substance with the molecular formula C12H8ClN5O2 and a molar mass of 289.68 g/mol. Its CAS registry number is 245426-70-4. The IUPAC name is (Z)-3-(5-chloro-1H-indol-3-yl)-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(Z)-3-(5-chloro-1H-indol-3-yl)-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
CAS number
245426-70-4 CAS number cross-checked
Molecular formula
C12H8ClN5O2
InChIKey
FIBQKRNTWLEWHF-WMZJFQQLSA-N
InChI
InChI=1S/C12H8ClN5O2/c13-6-1-2-9-7(3-6)8(5-14-9)10(19)4-11(20)12-15-17-18-16-12/h1-5,14,19H,(H,15,16,17,18)/b10-4-
SMILES
C1=CC2=C(C=C1Cl)C(=CN2)/C(=C/C(=O)C3=NNN=N3)/O

Synonyms

  • 1-(5-Chloroindol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-propenone
  • 5-CITEP
  • (Z)-3-(5-chloro-1H-indol-3-yl)-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
  • 2-Propen-1-one, 1-(5-chloro-1H-indol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)-, (2Z)-
  • (2Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tetrazol-5-yl)-2-propen-1-one
  • (2Z)-1-(5-chloro-1H-indol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)prop-2-en-1-one
  • (2Z)-3-(5-Chloro-1H-indol-3-yl)-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one
  • (Z)-1-(5-chloro-1H-indol-3-yl)-3-hydroxy-3-(2H-tetrazol-5-yl)prop-2-en-1-one
  • 2-Propen-1-one, 1-(5-chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tetrazol-5-yl)- (9CI)

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
289.68 g/molcalc.
Exact mass
289.0367 Dacalc.
LogP (octanol/water)
2.12calc.
Topological polar surface area
107.6 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0calc.
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=Cc1c[nH]c2ccccc12)c1nn[nH]n1

O=C(C=Cc1c[nH]c2ccccc12)c1nn[nH]n1

3 rings, 18 atoms.

No other chemical in our database has 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.

5Citep suppliers

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5Citep 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 5Citep is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

The HS code shown for 5Citep is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 5Citep, based on the data on this page

What is 5Citep?

5Citep is a chemical substance with the molecular formula C12H8ClN5O2 and a molar mass of 289.68 g/mol. Its CAS registry number is 245426-70-4. The IUPAC name is (Z)-3-(5-chloro-1H-indol-3-yl)-3-hydroxy-1-(2H-tetrazol-5-yl)prop-2-en-1-one.

What is the CAS number of 5Citep?

The CAS registry number of 5Citep is 245426-70-4.

What is the molecular formula and weight of 5Citep?

The molecular formula of 5Citep is C12H8ClN5O2 and its molar mass is 289.68 g/mol.

What is 5Citep used for?

Known uses and roles of 5Citep include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 5Citep hazardous?

No GHS hazard classification for 5Citep 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 5Citep?

5Citep is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 5Citep?

Post a free request on CompoundList and suppliers of 5Citep will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 5Citep?

Suppliers quote 5Citep 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 5Citep

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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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