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Screening compounds

PEDttHD

Also known as (16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-Dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene, (16Z)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

CAS 2197126-32-0Formula C28H32N4O3Molar mass 472.59 g/mol
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PEDttHD chemical structure, C28H32N4O3, CAS 2197126-32-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2197126-32-0
Formula
C28H32N4O3
Molar mass
472.59 g/mol
HS code
293499
Category
Screening compounds

What is PEDttHD?

Plain description, key identifiers and synonyms

PEDttHD is a chemical substance with the molecular formula C28H32N4O3 and a molar mass of 472.59 g/mol. Its CAS registry number is 2197126-32-0. The IUPAC name is (16Z)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(16Z)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
CAS number
2197126-32-0
Molecular formula
C28H32N4O3
InChIKey
HWXVIOGONBBTBY-ARJAWSKDSA-N
InChI
InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)/b4-3-
Canonical SMILES
C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC1
Isomeric SMILES
C1CCN(C1)CCOC2=C3COC/C=C\COCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2

Synonyms

  • (16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-Dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene
  • (16Z)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene

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
472.59 g/molcalc.
Exact mass
472.2474 Dacalc.
LogP (octanol/water)
4.96calc.
Topological polar surface area
68.74 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
4calc.
Heavy atoms
35calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
0calc.
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, C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC1

C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC1

5 rings, 35 atoms.

4 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.

PEDttHD suppliers

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

Frequently asked questions

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

What is PEDttHD?

PEDttHD is a chemical substance with the molecular formula C28H32N4O3 and a molar mass of 472.59 g/mol. Its CAS registry number is 2197126-32-0. The IUPAC name is (16Z)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene.

What is the CAS number of PEDttHD?

The CAS registry number of PEDttHD is 2197126-32-0.

What is the molecular formula and weight of PEDttHD?

The molecular formula of PEDttHD is C28H32N4O3 and its molar mass is 472.59 g/mol.

What is PEDttHD used for?

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

Is PEDttHD hazardous?

No GHS hazard classification for PEDttHD 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 PEDttHD?

PEDttHD 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 PEDttHD?

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

What is the price of PEDttHD?

Suppliers quote PEDttHD 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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