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Screening compounds

Pkr35mxh3B

Also known as 5-Heptenoic acid, 7-[3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]-, methyl ester, [1R-[1alpha(Z),2beta,3alpha,5alpha]]-, Methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]hept-5-enoate

CAS 66176-08-7Formula C25H36O7Molar mass 448.56 g/mol
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Pkr35mxh3B chemical structure, C25H36O7, CAS 66176-08-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
66176-08-7
Formula
C25H36O7
Molar mass
448.56 g/mol
HS code
293299
Category
Screening compounds

What is Pkr35mxh3B?

Plain description, key identifiers and synonyms

Pkr35mxh3B is a chemical substance with the molecular formula C25H36O7 and a molar mass of 448.56 g/mol. Its CAS registry number is 66176-08-7. The IUPAC name is methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]hept-5-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]hept-5-enoate
CAS number
66176-08-7
Molecular formula
C25H36O7
UNII
PKR35MXH3B
InChIKey
KXVSITQINMBIJC-FUGMMIETSA-N
InChI
InChI=1S/C25H36O7/c1-29-24(28)12-8-3-2-7-11-20-21(23(27)17-22(20)26)13-14-25(31-15-16-32-25)18-30-19-9-5-4-6-10-19/h2,4-7,9-10,20-23,26-27H,3,8,11-18H2,1H3/b7-2-/t20-,21-,22+,23-/m1/s1
Canonical SMILES
COC(=O)CCCC=CCC1C(O)CC(O)C1CCC1(COc2ccccc2)OCCO1
Isomeric SMILES
COC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1CCC2(OCCO2)COC3=CC=CC=C3)O)O

Synonyms

  • 5-Heptenoic acid, 7-[3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]-, methyl ester, [1R-[1alpha(Z),2beta,3alpha,5alpha]]-
  • Methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]hept-5-enoate

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
448.56 g/molcalc.
Exact mass
448.2461 Dacalc.
LogP (octanol/water)
3.24calc.
Topological polar surface area
94.45 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
12calc.
Heavy atoms
32calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
4calc.
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, c1ccc(OCC2(CCC3CCCC3)OCCO2)cc1

c1ccc(OCC2(CCC3CCCC3)OCCO2)cc1

3 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.

Pkr35mxh3B suppliers

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Pkr35mxh3B 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 Pkr35mxh3B 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 Pkr35mxh3B is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pkr35mxh3B, based on the data on this page

What is Pkr35mxh3B?

Pkr35mxh3B is a chemical substance with the molecular formula C25H36O7 and a molar mass of 448.56 g/mol. Its CAS registry number is 66176-08-7. The IUPAC name is methyl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[2-[2-(phenoxymethyl)-1,3-dioxolan-2-yl]ethyl]cyclopentyl]hept-5-enoate.

What is the CAS number of Pkr35mxh3B?

The CAS registry number of Pkr35mxh3B is 66176-08-7.

What is the molecular formula and weight of Pkr35mxh3B?

The molecular formula of Pkr35mxh3B is C25H36O7 and its molar mass is 448.56 g/mol.

What is Pkr35mxh3B used for?

Known uses and roles of Pkr35mxh3B include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pkr35mxh3B hazardous?

No GHS hazard classification for Pkr35mxh3B 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 Pkr35mxh3B?

Pkr35mxh3B 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 Pkr35mxh3B?

Post a free request on CompoundList and suppliers of Pkr35mxh3B will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Pkr35mxh3B?

Suppliers quote Pkr35mxh3B 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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