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Heterocyclic building blocks

Sbb038309

Also known as 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one, 3,6,6-trimethyl-1-phenyl-1H-5,6,7-trihydroindazol-4-one, 3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one

CAS 21269-61-4Formula C16H18N2OMolar mass 254.33 g/mol
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Sbb038309 chemical structure, C16H18N2O, CAS 21269-61-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
21269-61-4
Formula
C16H18N2O
Molar mass
254.33 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Sbb038309?

Plain description, key identifiers and synonyms

Sbb038309 is a chemical substance with the molecular formula C16H18N2O and a molar mass of 254.33 g/mol. Its CAS registry number is 21269-61-4. The IUPAC name is 3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
CAS number
21269-61-4 CAS number cross-checked
Molecular formula
C16H18N2O
InChIKey
SMBNLMLYUWLSHO-UHFFFAOYSA-N
InChI
InChI=1S/C16H18N2O/c1-11-15-13(9-16(2,3)10-14(15)19)18(17-11)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3
SMILES (canonical and isomeric)
CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=CC=C3

Synonyms

  • 3,6,6-trimethyl-1-phenyl-6,7-dihydro-1H-indazol-4(5H)-one
  • 3,6,6-trimethyl-1-phenyl-1H-5,6,7-trihydroindazol-4-one
  • 3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one
  • Cambridge id 6748101
  • 3,6,6-trimethyl-1-phenyl-1,5,6,7-tetrahydro-4h-indazol-4-one

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
254.33 g/molcalc.
Exact mass
254.1419 Dacalc.
LogP (octanol/water)
3.34calc.
Topological polar surface area
34.89 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.38calc.
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=C1CCCc2c1cnn2-c1ccccc1

O=C1CCCc2c1cnn2-c1ccccc1

3 rings, 16 atoms, the 1-Phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one ring system.

47 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.

Sbb038309 suppliers

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Sbb038309 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 Sbb038309 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 Sbb038309 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sbb038309, based on the data on this page

What is Sbb038309?

Sbb038309 is a chemical substance with the molecular formula C16H18N2O and a molar mass of 254.33 g/mol. Its CAS registry number is 21269-61-4. The IUPAC name is 3,6,6-trimethyl-1-phenyl-5,7-dihydroindazol-4-one.

What is the CAS number of Sbb038309?

The CAS registry number of Sbb038309 is 21269-61-4.

What is the molecular formula and weight of Sbb038309?

The molecular formula of Sbb038309 is C16H18N2O and its molar mass is 254.33 g/mol.

What is Sbb038309 used for?

Known uses and roles of Sbb038309 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Sbb038309 hazardous?

No GHS hazard classification for Sbb038309 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 Sbb038309?

Sbb038309 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 Sbb038309?

Post a free request on CompoundList and suppliers of Sbb038309 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Sbb038309?

Suppliers quote Sbb038309 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 Sbb038309

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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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