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Screening compounds

Thalfine

Also known as Thalphine

CAS 27764-05-2Formula C38H36N2O8Molar mass 648.71 g/mol
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Thalfine chemical structure, C38H36N2O8, CAS 27764-05-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
27764-05-2
Formula
C38H36N2O8
Molar mass
648.71 g/mol
HS code
293499
Category
Screening compounds

What is Thalfine?

Plain description, key identifiers and synonyms

Thalfine has been reported in Thalictrum foetidum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(25S)-8,17,18,30-tetramethoxy-24-methyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.13,7.127,31.09,13.016,21.020,25.014,39]nonatriaconta-1(35),3,5,7(39),8,13,16(21),17,19,27(38),28,30,33,36-tetradecaene
CAS number
27764-05-2 CAS number cross-checked
Molecular formula
C38H36N2O8
InChIKey
OSOKLEWJPLGVBW-NDEPHWFRSA-N
InChI
InChI=1S/C38H36N2O8/c1-40-15-13-24-26-19-31(42-3)35(44-5)34(24)48-36-32-25(33(43-4)37-38(36)46-20-45-37)12-14-39-27(32)16-21-6-9-23(10-7-21)47-30-18-22(17-28(26)40)8-11-29(30)41-2/h6-12,14,18-19,28H,13,15-17,20H2,1-5H3/t28-/m0/s1
Canonical SMILES
COc1ccc2cc1Oc1ccc(cc1)Cc1nccc3c(OC)c4c(c(c13)Oc1c3c(cc(OC)c1OC)C(C2)N(C)CC3)OCO4
Isomeric SMILES
CN1CCC2=C3C(=C(C=C2[C@@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6=NC=CC7=C6C(=C8C(=C7OC)OCO8)O3)C=C5)OC)OC

Synonyms

  • Thalphine

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
648.71 g/molcalc.
Exact mass
648.2472 Dacalc.
LogP (octanol/water)
7.26calc.
Topological polar surface area
89.97 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
4calc.
Heavy atoms
48calc.
Rings
9calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Fails (2 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, c1cc2cc(c1)Oc1ccc(cc1)Cc1nccc3cc4c(c(c13)Oc1cccc3c1CCNC3C2)OCO4

c1cc2cc(c1)Oc1ccc(cc1)Cc1nccc3cc4c(c(c13)Oc1cccc3c1CCNC3C2)OCO4

9 rings, 39 atoms.

No other chemical in our database has 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.

Thalfine suppliers

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

Frequently asked questions

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

What is Thalfine?

Thalfine has been reported in Thalictrum foetidum.

What is the CAS number of Thalfine?

The CAS registry number of Thalfine is 27764-05-2.

What is the molecular formula and weight of Thalfine?

The molecular formula of Thalfine is C38H36N2O8 and its molar mass is 648.71 g/mol.

What is Thalfine used for?

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

Is Thalfine hazardous?

No GHS hazard classification for Thalfine 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 Thalfine?

Thalfine 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 Thalfine?

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

What is the price of Thalfine?

Suppliers quote Thalfine 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 Thalfine

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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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