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Screening compounds

Antituberculosis agent-9

Also known as Antitubercular 5a, Antitubercular agent 5a, 5-Chloro-N-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-2-phenylpyrimidin-4-amine

CAS 2998587-72-5Formula C25H29ClN4OMolar mass 436.99 g/mol
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Antituberculosis agent-9 chemical structure, C25H29ClN4O, CAS 2998587-72-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2998587-72-5
Formula
C25H29ClN4O
Molar mass
436.99 g/mol
HS code
293359
Category
Screening compounds

What is Antituberculosis agent-9?

Plain description, key identifiers and synonyms

Antituberculosis agent-9 is a chemical substance with the molecular formula C25H29ClN4O and a molar mass of 436.99 g/mol. Its CAS registry number is 2998587-72-5. The IUPAC name is 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine
CAS number
2998587-72-5
Molecular formula
C25H29ClN4O
InChIKey
LKRINMKLPCVYQU-UHFFFAOYSA-N
InChI
InChI=1S/C25H29ClN4O/c1-16(2)31-23-14-20(18-9-11-27-12-10-18)17(3)13-22(23)29-25-21(26)15-28-24(30-25)19-7-5-4-6-8-19/h4-8,13-16,18,27H,9-12H2,1-3H3,(H,28,29,30)
SMILES (canonical and isomeric)
CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC(=NC=C3Cl)C4=CC=CC=C4

Synonyms

  • Antitubercular 5a
  • Antitubercular agent 5a
  • 5-Chloro-N-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-2-phenylpyrimidin-4-amine

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
436.99 g/molcalc.
Exact mass
436.203 Dacalc.
LogP (octanol/water)
6.1calc.
Topological polar surface area
59.07 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
6calc.
Heavy atoms
31calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
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(-c2nccc(Nc3ccc(C4CCNCC4)cc3)n2)cc1

c1ccc(-c2nccc(Nc3ccc(C4CCNCC4)cc3)n2)cc1

4 rings, 25 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.

Antituberculosis agent-9 suppliers

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Antituberculosis agent-9 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 Antituberculosis agent-9 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for Antituberculosis agent-9 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Antituberculosis agent-9, based on the data on this page

What is Antituberculosis agent-9?

Antituberculosis agent-9 is a chemical substance with the molecular formula C25H29ClN4O and a molar mass of 436.99 g/mol. Its CAS registry number is 2998587-72-5. The IUPAC name is 5-chloro-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-2-phenylpyrimidin-4-amine.

What is the CAS number of Antituberculosis agent-9?

The CAS registry number of Antituberculosis agent-9 is 2998587-72-5.

What is the molecular formula and weight of Antituberculosis agent-9?

The molecular formula of Antituberculosis agent-9 is C25H29ClN4O and its molar mass is 436.99 g/mol.

What is Antituberculosis agent-9 used for?

Known uses and roles of Antituberculosis agent-9 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Antituberculosis agent-9 hazardous?

No GHS hazard classification for Antituberculosis agent-9 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 Antituberculosis agent-9?

Antituberculosis agent-9 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Antituberculosis agent-9?

Post a free request on CompoundList and suppliers of Antituberculosis agent-9 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Antituberculosis agent-9?

Suppliers quote Antituberculosis agent-9 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 Antituberculosis agent-9

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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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