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 Formula: C₂₃H₂₉NO₃ Peso molecolare: 367.5 PubChem CID: 2856734

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Synonyms

Thiokol|Accralastic|Coeflex|Thiorubber|1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one|1-{2-[2-hydroxy-3-(piperidin-1-yl)propoxy]phenyl}-3-phenylpropan-1-one|1-(2-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)-3-phenylpropan-1-one|1-[2-(2-Hydroxy-3-piperidin-1-yl-propoxy)-phenyl]-3-phenyl-propan-1-one|1-{2-[2-hydroxy-3-(1-piperidinyl)propoxy]phenyl}-3-phenyl-1-propanone

Storage

Room temperature

Scheda delle specifiche

Specifiche Proprietà del prodotto Nomi e identificatori Dati avanzati Taxonomic Classification Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche Calcolatori di soluzioni Recensioni Domande frequenti

Specifiche

Sinonimi

Thiokol | Accralastic | Coeflex | Thiorubber | 1-[2-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]-3-phenylpropan-1-one | 1-{2-[2-hydroxy-3-(piperidin-1-yl)propoxy]phenyl}-3-phenylpropan-1-one | 1-(2-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)-3-phenylpropan-1-one | 1-[2-(2-Hydroxy-3-piperidin-1-yl-propoxy)-phenyl]-3-phenyl-propan-1-one | 1- Mostra altro

Condizioni di conservazione di stoccaggio

Room temperature

Proprietà del prodotto

ALogP

3.7

Nomi e identificatori

Sorrisi canonici

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

Isomeri SMILES

C1CCN(CC1)CC(COC2=CC=CC=C2C(=O)CCC3=CC=CC=C3)O

PubChem CID

2856734

Peso molecolare

367.5

Dati avanzati

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Classe	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
Descrizione	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

Struttura 3D

Obiettivi associati (umani)

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)

Peso molecolare	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

Thiokol , CAS No.63148-67-4

Specifiche

Dati avanzati

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Recensioni dei clienti

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