Thiokol , CAS No.63148-67-4

Name: Thiokol , CAS No.63148-67-4
Brand: Aladdin Scientific
SKU: T668746
Availability: InStock

CAS: 63148-67-4 Cat. No.: T668746 Molecular Weight: 367.5 PubChem CID: 2856734

COA

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Thiokol - CAS No(63148-67-4) by Aladdin Scientific

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AVAILABLE TO ORDER

Synonyms

Thiokol | Accralastic | Coeflex | Thiorubber | GNF-PF-5152 | 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one | MMV009015 | 1-{2-[2-hydroxy-3-(piperidin-1-yl)propoxy]phenyl}-3-phenylpropan-1-one | 1-(2-(2-hydroxy-3-(piperidin-1-yl)prop

Storage

Room temperature

Specifications Product Properties Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Storage

Room temperature

Product Properties

ALogP	3.7

Names and Identifiers

Canonical Smiles	C1CCN(CC1)CC(COC2=CC=CC=C2C(=O)CCC3=CC=CC=C3)O
IUPAC Name	1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one
InChIKey	DMYOHQBLOZMDLP-UHFFFAOYSA-N
INCHI	1S/C23H29NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,25H,2,7-8,13-18H2
Isomeric SMILES	C1CCN(CC1)CC(COC2=CC=CC=C2C(=O)CCC3=CC=CC=C3)O
PubChem CID	2856734
Molecular Weight	367.5

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Linear 1,3-diarylpropanoids

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Linear 1,3-diarylpropanoids
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Linear 1,3-diarylpropanoids
Alternative Parents	Alkyl-phenylketones Butyrophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Piperidines Trialkylamines Secondary alcohols 1,2-aminoalcohols Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - Phenylketone - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - 1,2-aminoalcohol - Ketone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
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

3D Structure

Associated Targets(Human)

ABCB1 Tchem Multidrug resistance protein 1 (2 Activities)

Discover Target: ABCB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC2A1 Tchem Glucose transporter (14755 Activities)

Discover Target: SLC2A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Molecular Weight	367.500 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	367.215 Da
Monoisotopic Mass	367.215 Da
Topological Polar Surface Area	49.800 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	429.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1