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Screening compounds

Madindoline B

CAS 184877-65-4Formula C22H27NO4Molar mass 369.46 g/mol
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Madindoline B chemical structure, C22H27NO4, CAS 184877-65-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
184877-65-4
Formula
C22H27NO4
Molar mass
369.46 g/mol
HS code
293499
Category
Screening compounds

What is Madindoline B?

Plain description, key identifiers and synonyms

Madindoline B is a chemical substance with the molecular formula C22H27NO4 and a molar mass of 369.46 g/mol. Its CAS registry number is 184877-65-4. The IUPAC name is (2S)-2-[[(3aS,8bR)-8b-hydroxy-2,3a-dihydro-1H-furo[2,3-b]indol-4-yl]methyl]-4-butyl-2,5-dimethylcyclopent-4-ene-1,3-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S)-2-[[(3aS,8bR)-8b-hydroxy-2,3a-dihydro-1H-furo[2,3-b]indol-4-yl]methyl]-4-butyl-2,5-dimethylcyclopent-4-ene-1,3-dione
CAS number
184877-65-4
Molecular formula
C22H27NO4
InChIKey
XPVQXXLKOCZMGG-FDFHNCONSA-N
InChI
InChI=1S/C22H27NO4/c1-4-5-8-15-14(2)18(24)21(3,19(15)25)13-23-17-10-7-6-9-16(17)22(26)11-12-27-20(22)23/h6-7,9-10,20,26H,4-5,8,11-13H2,1-3H3/t20-,21-,22+/m0/s1
Canonical SMILES
CCCCC1=C(C)C(=O)C(C)(CN2c3ccccc3C3(O)CCOC23)C1=O
Isomeric SMILES
CCCCC1=C(C(=O)[C@](C1=O)(C)CN2[C@@H]3[C@@](CCO3)(C4=CC=CC=C42)O)C

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
369.46 g/molcalc.
Exact mass
369.194 Dacalc.
LogP (octanol/water)
3.11calc.
Topological polar surface area
66.84 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
27calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
3calc.
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=C1C=CC(=O)C1CN1c2ccccc2C2CCOC21

O=C1C=CC(=O)C1CN1c2ccccc2C2CCOC21

4 rings, 20 atoms.

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.

Madindoline B suppliers

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

Frequently asked questions

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

What is Madindoline B?

Madindoline B is a chemical substance with the molecular formula C22H27NO4 and a molar mass of 369.46 g/mol. Its CAS registry number is 184877-65-4. The IUPAC name is (2S)-2-[[(3aS,8bR)-8b-hydroxy-2,3a-dihydro-1H-furo[2,3-b]indol-4-yl]methyl]-4-butyl-2,5-dimethylcyclopent-4-ene-1,3-dione.

What is the CAS number of Madindoline B?

The CAS registry number of Madindoline B is 184877-65-4.

What is the molecular formula and weight of Madindoline B?

The molecular formula of Madindoline B is C22H27NO4 and its molar mass is 369.46 g/mol.

What is Madindoline B used for?

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

Is Madindoline B hazardous?

No GHS hazard classification for Madindoline B 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 Madindoline B?

Madindoline B 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 Madindoline B?

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

What is the price of Madindoline B?

Suppliers quote Madindoline B 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 Madindoline 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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