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Screening compounds

B5Dld46ukf

Also known as (11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydro-N,N-dimethyldibenz[b,e]oxepin-2-acetamide, 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]-N,N-dimethylacetamide, Dibenz[b,e]oxepin-2-acetamide, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-N,N-dimethyl-, (11Z)

CAS 872041-02-6Formula C23H28N2O2Molar mass 364.49 g/mol
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B5Dld46ukf chemical structure, C23H28N2O2, CAS 872041-02-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
872041-02-6
Formula
C23H28N2O2
Molar mass
364.49 g/mol
HS code
293299
Category
Screening compounds

What is B5Dld46ukf?

Plain description, key identifiers and synonyms

B5Dld46ukf is a chemical substance with the molecular formula C23H28N2O2 and a molar mass of 364.49 g/mol. Its CAS registry number is 872041-02-6. The IUPAC name is 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]-N,N-dimethylacetamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]-N,N-dimethylacetamide
CAS number
872041-02-6
Molecular formula
C23H28N2O2
UNII
B5DLD46UKF
InChIKey
QJTQZJPXQVMCAQ-JMIUGGIZSA-N
InChI
InChI=1S/C23H28N2O2/c1-24(2)13-7-10-20-19-9-6-5-8-18(19)16-27-22-12-11-17(14-21(20)22)15-23(26)25(3)4/h5-6,8-12,14H,7,13,15-16H2,1-4H3/b20-10-
Canonical SMILES
CN(C)CCC=C1c2ccccc2COc2ccc(CC(=O)N(C)C)cc21
Isomeric SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)N(C)C

Synonyms

  • (11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydro-N,N-dimethyldibenz[b,e]oxepin-2-acetamide
  • 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]-N,N-dimethylacetamide
  • Dibenz[b,e]oxepin-2-acetamide, 11-[3-(dimethylamino)propylidene]-6,11-dihydro-N,N-dimethyl-, (11Z)

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
364.49 g/molcalc.
Exact mass
364.2151 Dacalc.
LogP (octanol/water)
3.59calc.
Topological polar surface area
32.78 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.35calc.
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, C=C1c2ccccc2COc2ccccc21

C=C1c2ccccc2COc2ccccc21

3 rings, 16 atoms.

93 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.

B5Dld46ukf suppliers

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B5Dld46ukf price

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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 B5Dld46ukf is traded under.

HS 2932.99Indicative HS code

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

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

The HS code shown for B5Dld46ukf is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about B5Dld46ukf, based on the data on this page

What is B5Dld46ukf?

B5Dld46ukf is a chemical substance with the molecular formula C23H28N2O2 and a molar mass of 364.49 g/mol. Its CAS registry number is 872041-02-6. The IUPAC name is 2-[(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-yl]-N,N-dimethylacetamide.

What is the CAS number of B5Dld46ukf?

The CAS registry number of B5Dld46ukf is 872041-02-6.

What is the molecular formula and weight of B5Dld46ukf?

The molecular formula of B5Dld46ukf is C23H28N2O2 and its molar mass is 364.49 g/mol.

What is B5Dld46ukf used for?

Known uses and roles of B5Dld46ukf include building blocks in research and laboratory and screening compounds in research and laboratory.

Is B5Dld46ukf hazardous?

No GHS hazard classification for B5Dld46ukf 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 B5Dld46ukf?

B5Dld46ukf is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy B5Dld46ukf?

Post a free request on CompoundList and suppliers of B5Dld46ukf will send you quotes. Your contact details stay private until you accept a quote.

What is the price of B5Dld46ukf?

Suppliers quote B5Dld46ukf 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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