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Screening compounds

Brachystamide B

Also known as (2E,4E,14E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,14-trienamide, (2E,4E,14E)-15-(2H-1,3-Benzodioxol-5-yl)-N-((2S)-butan-2-yl)pentadeca-2,4,14-trienimidate, (2E,4E,14E)-15-(2H-1,3-Benzodioxol-5-yl)-N-[(2S)-butan-2-yl]pentadeca-2,4,14-trienimidate

CAS 126394-65-8Formula C26H37NO3Molar mass 411.59 g/mol
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Brachystamide B chemical structure, C26H37NO3, CAS 126394-65-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
126394-65-8
Formula
C26H37NO3
Molar mass
411.59 g/mol
HS code
293299
Category
Screening compounds

What is Brachystamide B?

Plain description, key identifiers and synonyms

Brachystamide B is a member of benzodioxoles.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2E,4E,14E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,14-trienamide
CAS number
126394-65-8
Molecular formula
C26H37NO3
InChIKey
DRMOIHOBUYFDKF-HMZUNPFJSA-N
InChI
InChI=1S/C26H37NO3/c1-22(2)20-27-26(28)16-14-12-10-8-6-4-3-5-7-9-11-13-15-23-17-18-24-25(19-23)30-21-29-24/h10,12-19,22H,3-9,11,20-21H2,1-2H3,(H,27,28)/b12-10+,15-13+,16-14+
Canonical SMILES
CC(C)CNC(=O)C=CC=CCCCCCCCCC=Cc1ccc2c(c1)OCO2
Isomeric SMILES
CC(C)CNC(=O)/C=C/C=C/CCCCCCCC/C=C/C1=CC2=C(C=C1)OCO2

Synonyms

  • (2E,4E,14E)-15-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pentadeca-2,4,14-trienamide
  • (2E,4E,14E)-15-(2H-1,3-Benzodioxol-5-yl)-N-((2S)-butan-2-yl)pentadeca-2,4,14-trienimidate
  • (2E,4E,14E)-15-(2H-1,3-Benzodioxol-5-yl)-N-[(2S)-butan-2-yl]pentadeca-2,4,14-trienimidate

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
411.59 g/molcalc.
Exact mass
411.2773 Dacalc.
LogP (octanol/water)
6.43calc.
Topological polar surface area
47.56 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
14calc.
Heavy atoms
30calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.5calc.
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, c1ccc2c(c1)OCO2

c1ccc2c(c1)OCO2

2 rings, 9 atoms, the 1,3-Benzodioxole ring system.

4,560 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.

Brachystamide B suppliers

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

Frequently asked questions

Quick answers about Brachystamide B, based on the data on this page

What is Brachystamide B?

Brachystamide B is a member of benzodioxoles.

Guides for buyers

Practical guides that help when you source, ship or handle Brachystamide B

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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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