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Screening compounds

Epothilone D2

Also known as (4S,5S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,7,9,13-tetramethyl-16-((E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl)-1-oxacyclohexadec-13-ene-2,6-dione, (4S,5S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,7,9,13-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

CAS 252917-37-6Formula C26H39NO5SMolar mass 477.67 g/mol
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Epothilone D2 chemical structure, C26H39NO5S, CAS 252917-37-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
252917-37-6
Formula
C26H39NO5S
Molar mass
477.67 g/mol
HS code
293410
Category
Screening compounds

What is Epothilone D2?

Plain description, key identifiers and synonyms

epothilone D2 has been reported in Sorangium and Sorangium cellulosum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4S,5S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,7,9,13-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
CAS number
252917-37-6
Molecular formula
C26H39NO5S
InChIKey
PPADMZQKLQKZMX-MIFDDJEISA-N
InChI
InChI=1S/C26H39NO5S/c1-15-8-7-9-16(2)25(30)19(5)26(31)18(4)22(28)13-24(29)32-23(11-10-15)17(3)12-21-14-33-20(6)27-21/h10,12,14,16,18-19,22-23,25,28,30H,7-9,11,13H2,1-6H3/b15-10-,17-12+/t16-,18-,19+,22-,23-,25-/m0/s1
Canonical SMILES
CC1=CCC(C(C)=Cc2csc(C)n2)OC(=O)CC(O)C(C)C(=O)C(C)C(O)C(C)CCC1
Isomeric SMILES
C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H]([C@@H](C(=O)[C@@H]([C@H]1O)C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C

Synonyms

  • (4S,5S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,7,9,13-tetramethyl-16-((E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl)-1-oxacyclohexadec-13-ene-2,6-dione
  • (4S,5S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,7,9,13-tetramethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

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
477.67 g/molcalc.
Exact mass
477.2549 Dacalc.
LogP (octanol/water)
4.88calc.
Topological polar surface area
96.72 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
2calc.
Heavy atoms
33calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
6calc.
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=C1CCCCCCC=CCC(C=Cc2cscn2)OC(=O)CCC1

O=C1CCCCCCC=CCC(C=Cc2cscn2)OC(=O)CCC1

2 rings, 25 atoms.

9 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.

Epothilone D2 suppliers

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Epothilone D2 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 Epothilone D2 is traded under.

HS 2934.10Indicative HS code

Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.88B
−16.1% vs 2023, imports $3.12B
2019 to 2024
Top exporters
  1. Switzerland * partner reported36.4%
  2. Ireland28.8%
  3. China10.0%
Top importers
  1. Canada33.4%
  2. United States14.4%
  3. Ireland13.1%

* Partner reported figures, a lower bound.

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

The HS code shown for Epothilone D2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Epothilone D2, based on the data on this page

What is Epothilone D2?

epothilone D2 has been reported in Sorangium and Sorangium cellulosum.

What is the CAS number of Epothilone D2?

The CAS registry number of Epothilone D2 is 252917-37-6.

What is the molecular formula and weight of Epothilone D2?

The molecular formula of Epothilone D2 is C26H39NO5S and its molar mass is 477.67 g/mol.

What is Epothilone D2 used for?

Known uses and roles of Epothilone D2 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Epothilone D2 hazardous?

No GHS hazard classification for Epothilone D2 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 Epothilone D2?

Epothilone D2 is usually classified under HS code 293410 (Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Epothilone D2?

Post a free request on CompoundList and suppliers of Epothilone D2 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Epothilone D2?

Suppliers quote Epothilone D2 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 Epothilone D2

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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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