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Screening compounds

Orb1738715

Also known as 2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-(thiophen-2-ylmethyl)ethanamine

CAS 1401027-29-9Formula C21H28N2OSMolar mass 356.54 g/mol
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Orb1738715 chemical structure, C21H28N2OS, CAS 1401027-29-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1401027-29-9
Formula
C21H28N2OS
Molar mass
356.54 g/mol
HS code
293499
Category
Screening compounds

What is Orb1738715?

Plain description, key identifiers and synonyms

Orb1738715 is a chemical substance with the molecular formula C21H28N2OS and a molar mass of 356.54 g/mol. Its CAS registry number is 1401027-29-9. The IUPAC name is 2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-(thiophen-2-ylmethyl)ethanamine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-(thiophen-2-ylmethyl)ethanamine
CAS number
1401027-29-9
Molecular formula
C21H28N2OS
InChIKey
PJLIHYXPEOMIMJ-HXUWFJFHSA-N
InChI
InChI=1S/C21H28N2OS/c1-4-12-23-19(7-1)20(10-13-22-16-18-6-5-15-25-18)11-14-24-21(17-20)8-2-3-9-21/h1,4-7,12,15,22H,2-3,8-11,13-14,16-17H2/t20-/m1/s1
Canonical SMILES
c1ccc(C2(CCNCc3cccs3)CCOC3(CCCC3)C2)nc1
Isomeric SMILES
C1CCC2(C1)C[C@](CCO2)(CCNCC3=CC=CS3)C4=CC=CC=N4

Synonyms

  • 2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-(thiophen-2-ylmethyl)ethanamine

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
356.54 g/molcalc.
Exact mass
356.1922 Dacalc.
LogP (octanol/water)
4.68calc.
Topological polar surface area
34.15 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
6calc.
Heavy atoms
25calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
1calc.
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(C2(CCNCc3cccs3)CCOC3(CCCC3)C2)nc1

c1ccc(C2(CCNCc3cccs3)CCOC3(CCCC3)C2)nc1

4 rings, 25 atoms.

6 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.

Orb1738715 suppliers

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Orb1738715 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 Orb1738715 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 Orb1738715 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1738715, based on the data on this page

What is Orb1738715?

Orb1738715 is a chemical substance with the molecular formula C21H28N2OS and a molar mass of 356.54 g/mol. Its CAS registry number is 1401027-29-9. The IUPAC name is 2-[(9R)-9-pyridin-2-yl-6-oxaspiro[4.5]decan-9-yl]-N-(thiophen-2-ylmethyl)ethanamine.

What is the CAS number of Orb1738715?

The CAS registry number of Orb1738715 is 1401027-29-9.

What is the molecular formula and weight of Orb1738715?

The molecular formula of Orb1738715 is C21H28N2OS and its molar mass is 356.54 g/mol.

What is Orb1738715 used for?

Known uses and roles of Orb1738715 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1738715 hazardous?

No GHS hazard classification for Orb1738715 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 Orb1738715?

Orb1738715 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 Orb1738715?

Post a free request on CompoundList and suppliers of Orb1738715 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1738715?

Suppliers quote Orb1738715 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 Orb1738715

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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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