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Heterocyclic compounds

Orb1702596

Also known as ethyl (4R)-2-phenyl-3-prop-2-ynoyl-1,3-thiazolidine-4-carboxylate, (2RS, 4R)-2-Phenyl-3-propynoyl-thiazolidine-4-carboxylic acid ethyl ester

CAS 1044255-57-3Formula C15H15NO3SMolar mass 289.36 g/mol
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Orb1702596 chemical structure, C15H15NO3S, CAS 1044255-57-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1044255-57-3
Formula
C15H15NO3S
Molar mass
289.36 g/mol
HS code
293410
Category
Heterocyclic compounds

What is Orb1702596?

Plain description, key identifiers and synonyms

Orb1702596 is a chemical substance with the molecular formula C15H15NO3S and a molar mass of 289.36 g/mol. Its CAS registry number is 1044255-57-3. The IUPAC name is ethyl (4R)-2-phenyl-3-prop-2-ynoyl-1,3-thiazolidine-4-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
ethyl (4R)-2-phenyl-3-prop-2-ynoyl-1,3-thiazolidine-4-carboxylate
CAS number
1044255-57-3
Molecular formula
C15H15NO3S
InChIKey
VYDZOJXGXGQPPY-NBFOIZRFSA-N
InChI
InChI=1S/C15H15NO3S/c1-3-13(17)16-12(15(18)19-4-2)10-20-14(16)11-8-6-5-7-9-11/h1,5-9,12,14H,4,10H2,2H3/t12-,14?/m0/s1
Canonical SMILES
C#CC(=O)N1C(C(=O)OCC)CSC1c1ccccc1
Isomeric SMILES
CCOC(=O)[C@@H]1CSC(N1C(=O)C#C)C2=CC=CC=C2

Synonyms

  • ethyl (4R)-2-phenyl-3-prop-2-ynoyl-1,3-thiazolidine-4-carboxylate
  • (2RS, 4R)-2-Phenyl-3-propynoyl-thiazolidine-4-carboxylic acid ethyl ester

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
289.36 g/molcalc.
Exact mass
289.0773 Dacalc.
LogP (octanol/water)
1.83calc.
Topological polar surface area
46.61 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
2calc.
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(C2NCCS2)cc1

c1ccc(C2NCCS2)cc1

2 rings, 11 atoms, the 2-Phenylthiazolidine ring system.

474 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.

Orb1702596 suppliers

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Orb1702596 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 Orb1702596 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 Orb1702596 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1702596, based on the data on this page

What is Orb1702596?

Orb1702596 is a chemical substance with the molecular formula C15H15NO3S and a molar mass of 289.36 g/mol. Its CAS registry number is 1044255-57-3. The IUPAC name is ethyl (4R)-2-phenyl-3-prop-2-ynoyl-1,3-thiazolidine-4-carboxylate.

What is the CAS number of Orb1702596?

The CAS registry number of Orb1702596 is 1044255-57-3.

What is the molecular formula and weight of Orb1702596?

The molecular formula of Orb1702596 is C15H15NO3S and its molar mass is 289.36 g/mol.

What is Orb1702596 used for?

Known uses and roles of Orb1702596 include polymer antioxidants in plastics and polymers.

Is Orb1702596 hazardous?

No GHS hazard classification for Orb1702596 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 Orb1702596?

Orb1702596 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 Orb1702596?

Post a free request on CompoundList and suppliers of Orb1702596 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1702596?

Suppliers quote Orb1702596 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 Orb1702596

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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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