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Screening compounds

Delta17-U-46619

Also known as (Z)-7-[(1R,4S,5S,6R)-6-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid, 5-Heptenoic acid, 7-[(1R,4S,5S,6R)-6-[(1E,,3S,5Z)-3-hydroxy-1,5-octadien-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-, (5Z)-, 9,11-dideoxy-9alpha,11alpha-methanoepoxy-prosta-5Z,13E,17Z-trien-1-oic acid

CAS 946602-01-3Formula C21H32O4Molar mass 348.48 g/mol
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Delta17-U-46619 chemical structure, C21H32O4, CAS 946602-01-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
946602-01-3
Formula
C21H32O4
Molar mass
348.48 g/mol
HS code
293299
Category
Screening compounds

What is Delta17-U-46619?

Plain description, key identifiers and synonyms

Delta17-U-46619 is a chemical substance with the molecular formula C21H32O4 and a molar mass of 348.48 g/mol. Its CAS registry number is 946602-01-3. The IUPAC name is (Z)-7-[(1R,4S,5S,6R)-6-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(Z)-7-[(1R,4S,5S,6R)-6-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
CAS number
946602-01-3
Molecular formula
C21H32O4
InChIKey
XXHSKVZXPIQTFH-QMKAFUJPSA-N
InChI
InChI=1S/C21H32O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h3-4,6-7,12-13,16-20,22H,2,5,8-11,14-15H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1
Canonical SMILES
CCC=CCC(O)C=CC1C2CC(CO2)C1CC=CCCCC(=O)O
Isomeric SMILES
CC/C=C\C[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O

Synonyms

  • (Z)-7-[(1R,4S,5S,6R)-6-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
  • 5-Heptenoic acid, 7-[(1R,4S,5S,6R)-6-[(1E,,3S,5Z)-3-hydroxy-1,5-octadien-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-, (5Z)-
  • 9,11-dideoxy-9alpha,11alpha-methanoepoxy-prosta-5Z,13E,17Z-trien-1-oic acid
  • (5Z)-7-[(1R,4S,5S,6R)-6-[(1E,,3S,5Z)-3-Hydroxy-1,5-octadien-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl]-5-heptenoic acid

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
348.48 g/molcalc.
Exact mass
348.2301 Dacalc.
LogP (octanol/water)
4.11calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
11calc.
Heavy atoms
25calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
Formal charge
0calc.
Stereocentres
5calc.
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, C1CC2CC1CO2

C1CC2CC1CO2

2 rings, 7 atoms, the 2-Oxabicyclo[2.2.1]heptane ring system.

248 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.

Delta17-U-46619 suppliers

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Delta17-U-46619 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 Delta17-U-46619 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 Delta17-U-46619 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Delta17-U-46619, based on the data on this page

What is Delta17-U-46619?

Delta17-U-46619 is a chemical substance with the molecular formula C21H32O4 and a molar mass of 348.48 g/mol. Its CAS registry number is 946602-01-3. The IUPAC name is (Z)-7-[(1R,4S,5S,6R)-6-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid.

What is the CAS number of Delta17-U-46619?

The CAS registry number of Delta17-U-46619 is 946602-01-3.

What is the molecular formula and weight of Delta17-U-46619?

The molecular formula of Delta17-U-46619 is C21H32O4 and its molar mass is 348.48 g/mol.

What is Delta17-U-46619 used for?

Known uses and roles of Delta17-U-46619 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Delta17-U-46619 hazardous?

No GHS hazard classification for Delta17-U-46619 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 Delta17-U-46619?

Delta17-U-46619 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 Delta17-U-46619?

Post a free request on CompoundList and suppliers of Delta17-U-46619 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Delta17-U-46619?

Suppliers quote Delta17-U-46619 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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