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(S)-(+)-4-(1H-Indol-3-ylmethyl)-2-oxazolinone - ≥98%, high purity , CAS No.152153-01-0

COA

Grade & Purity:

≥98%

Cas Number: 152153-01-0
Molecular Weight: 216.2
PubChem CID: 10775090

In stock

Item Number

O725041

Grouped product items
SKU	Size	Availability	Price	Qty
O725041-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$57.90
O725041-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$204.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indoles
Intermediate Tree Nodes	Not available
Direct Parent	3-alkylindoles
Alternative Parents	Substituted pyrroles Oxazolidinones Benzenoids Heteroaromatic compounds Carbamate esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	3-alkylindole - Oxazolidinone - Substituted pyrrole - Benzenoid - Oxazolidine - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Azacycle - Oxacycle - Organic oxide - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(4S)-4-(1H-indol-3-ylmethyl)-1,3-oxazolidin-2-one
INCHI	InChI=1S/C12H12N2O2/c15-12-14-9(7-16-12)5-8-6-13-11-4-2-1-3-10(8)11/h1-4,6,9,13H,5,7H2,(H,14,15)/t9-/m0/s1
InChIKey	LGXHODFXCOIGGJ-VIFPVBQESA-N
Smiles	C1C(NC(=O)O1)CC2=CNC3=CC=CC=C32
Isomeric SMILES	C1[C@@H](NC(=O)O1)CC2=CNC3=CC=CC=C32
Molecular Weight	216.2
Reaxy-Rn	28630776
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28630776&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	157-160°C
Molecular Weight	216.240 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	216.09 Da
Monoisotopic Mass	216.09 Da
Topological Polar Surface Area	54.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	282.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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