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Screening compounds

SP 123

Also known as 4-Butyl-1,2-dihydro-5-((1-adamantanecarbonyl)oxy)-1,2-diphenyl-3H-pyrazol-3-one, Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 2,5-dihydro-4-butyl-1,2-diphenyl-5-oxo-1H-pyrazol-3-yl ester, 4-Butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl adamantane-1-carboxylate

CAS 87792-13-0Formula C30H34N2O3Molar mass 470.61 g/mol
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SP 123 chemical structure, C30H34N2O3, CAS 87792-13-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87792-13-0
Formula
C30H34N2O3
Molar mass
470.61 g/mol
HS code
293319
Category
Screening compounds

What is SP 123?

Plain description, key identifiers and synonyms

SP 123 is a chemical substance with the molecular formula C30H34N2O3 and a molar mass of 470.61 g/mol. Its CAS registry number is 87792-13-0. The IUPAC name is (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate
CAS number
87792-13-0 CAS number cross-checked
Molecular formula
C30H34N2O3
InChIKey
FOBIEMIYPMYDIM-UHFFFAOYSA-N
InChI
InChI=1S/C30H34N2O3/c1-2-3-14-26-27(33)31(24-10-6-4-7-11-24)32(25-12-8-5-9-13-25)28(26)35-29(34)30-18-21-15-22(19-30)17-23(16-21)20-30/h4-13,21-23H,2-3,14-20H2,1H3
SMILES (canonical and isomeric)
CCCCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C45CC6CC(C4)CC(C6)C5

Synonyms

  • 4-Butyl-1,2-dihydro-5-((1-adamantanecarbonyl)oxy)-1,2-diphenyl-3H-pyrazol-3-one
  • Tricyclo(3.3.1.1(sup 3,7))decane-1-carboxylic acid, 2,5-dihydro-4-butyl-1,2-diphenyl-5-oxo-1H-pyrazol-3-yl ester
  • 4-Butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl adamantane-1-carboxylate

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
470.61 g/molcalc.
Exact mass
470.2569 Dacalc.
LogP (octanol/water)
6.09calc.
Topological polar surface area
53.23 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
35calc.
Rings
7calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.47calc.
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, O=C(Oc1cc(=O)n(-c2ccccc2)n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2

O=C(Oc1cc(=O)n(-c2ccccc2)n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2

7 rings, 31 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.

SP 123 suppliers

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SP 123 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 SP 123 is traded under.

HS 2933.19Indicative HS code

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

World exports in 2024
$3.44B
−22.6% vs 2023, imports $6.66B
2019 to 2024
Top exporters
  1. China21.6%
  2. Switzerland * partner reported20.5%
  3. Germany19.0%
Top importers
  1. Slovenia38.4%
  2. Portugal14.1%
  3. Brazil13.0%

* Partner reported figures, a lower bound.

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

The HS code shown for SP 123 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about SP 123, based on the data on this page

What is SP 123?

SP 123 is a chemical substance with the molecular formula C30H34N2O3 and a molar mass of 470.61 g/mol. Its CAS registry number is 87792-13-0. The IUPAC name is (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) adamantane-1-carboxylate.

What is the CAS number of SP 123?

The CAS registry number of SP 123 is 87792-13-0.

What is the molecular formula and weight of SP 123?

The molecular formula of SP 123 is C30H34N2O3 and its molar mass is 470.61 g/mol.

What is SP 123 used for?

Known uses and roles of SP 123 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is SP 123 hazardous?

No GHS hazard classification for SP 123 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 SP 123?

SP 123 is usually classified under HS code 293319 (Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy SP 123?

Post a free request on CompoundList and suppliers of SP 123 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of SP 123?

Suppliers quote SP 123 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 SP 123

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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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