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Screening compounds

Bas 03216904

Also known as 1-benzhydryl-4-(2-thienylcarbonyl)piperazine, (4-benzhydrylpiperazino)(2-thienyl)methanone, [4-(diphenylmethyl)piperazin-1-yl](thiophen-2-yl)methanone

CAS 5530-76-7Formula C22H22N2OSMolar mass 362.50 g/mol
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Bas 03216904 chemical structure, C22H22N2OS, CAS 5530-76-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5530-76-7
Formula
C22H22N2OS
Molar mass
362.50 g/mol
HS code
293499
Category
Screening compounds

What is Bas 03216904?

Plain description, key identifiers and synonyms

Bas 03216904 is a chemical substance with the molecular formula C22H22N2OS and a molar mass of 362.50 g/mol. Its CAS registry number is 5530-76-7. The IUPAC name is (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
CAS number
5530-76-7 CAS number cross-checkedOther or deprecated CAS: 145255-93-2
Molecular formula
C22H22N2OS
InChIKey
LXQAURWRRYXFJT-UHFFFAOYSA-N
InChI
InChI=1S/C22H22N2OS/c25-22(20-12-7-17-26-20)24-15-13-23(14-16-24)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,17,21H,13-16H2
SMILES (canonical and isomeric)
C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CS4

Synonyms

  • 1-benzhydryl-4-(2-thienylcarbonyl)piperazine
  • (4-benzhydrylpiperazino)(2-thienyl)methanone
  • [4-(diphenylmethyl)piperazin-1-yl](thiophen-2-yl)methanone
  • (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone
  • 4-(diphenylmethyl)piperazinyl 2-thienyl ketone
  • (4-benzhydrylpiperazin-1-yl)(thiophen-2-yl)methanone

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
362.50 g/molcalc.
Exact mass
362.1453 Dacalc.
LogP (octanol/water)
4.3calc.
Topological polar surface area
23.55 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.23calc.
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(c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

O=C(c1cccs1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

4 rings, 26 atoms. This chemical is the scaffold itself.

1 other chemical 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.

Bas 03216904 suppliers

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Bas 03216904 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 Bas 03216904 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Bas 03216904 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Bas 03216904, based on the data on this page

What is Bas 03216904?

Bas 03216904 is a chemical substance with the molecular formula C22H22N2OS and a molar mass of 362.50 g/mol. Its CAS registry number is 5530-76-7. The IUPAC name is (4-benzhydrylpiperazin-1-yl)-thiophen-2-ylmethanone.

What is the CAS number of Bas 03216904?

The CAS registry number of Bas 03216904 is 5530-76-7. Other or deprecated CAS numbers: 145255-93-2.

What is the molecular formula and weight of Bas 03216904?

The molecular formula of Bas 03216904 is C22H22N2OS and its molar mass is 362.50 g/mol.

What is Bas 03216904 used for?

Known uses and roles of Bas 03216904 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bas 03216904 hazardous?

No GHS hazard classification for Bas 03216904 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 Bas 03216904?

Bas 03216904 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Bas 03216904?

Post a free request on CompoundList and suppliers of Bas 03216904 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bas 03216904?

Suppliers quote Bas 03216904 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

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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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