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Metaphit , CAS No.96316-00-6

CAS: 96316-00-6 Cat. No.: M668020 Fórmula: C18H24N2S Peso molecular: 300.5 PubChem CID: 114745
COA
Metaphit - CAS No(96316-00-6) by Aladdin Scientific
Disponível para encomenda
Synonyms
Metaphit | 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine | 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine | NFS3HJC8WD | Piperidine, 1-(1-(3-isothiocyanatophenyl)cyclohexyl)- | Piperidine, 1-[1-(3-isothiocyanatophenyl)cyclohexyl]- | SR-0100007601
Storage
Room temperature
★
Size
USA
Alemanha (EU)*
Price
Qty
1mg
M668020-1mg
Sob encomenda · 8–12 semanas

571,90US$

857,90US$
Gravar 286,00 US$ (33.34%)
5mg
M668020-5mg
Sob encomenda · 8–12 semanas

1999,90US$

2999,90US$
Gravar 1 000,00 US$ (33.33%)
Enter a quantity for the sizes you want to add.
Bulk / Custom
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Propriedades do produto Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Calculadoras de soluções Revisões Perguntas frequentes
🧪

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

Sinónimos
Metaphit | 1-(1-(3-Isothiocyanatophenyl)cyclohexyl)piperidine | 1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine | NFS3HJC8WD | Piperidine, 1-(1-(3-isothiocyanatophenyl)cyclohexyl)- | Piperidine, 1-[1-(3-isothiocyanatophenyl)cyclohexyl]- | SR-0100007601
Condições de armazenamento de armazenamento
Room temperature
Tipo de ação
ANTAGONIST
Propriedades do produto
ALogP5
Nomes e identificadores
Sorrisos canónicosC1CCC(CC1)(C2=CC(=CC=C2)N=C=S)N3CCCCC3
IUPAC Name1-[1-(3-isothiocyanatophenyl)cyclohexyl]piperidine
InChIKeyFGSGBQAQSPSRJK-UHFFFAOYSA-N
INCHI1S/C18H24N2S/c21-15-19-17-9-7-8-16(14-17)18(10-3-1-4-11-18)20-12-5-2-6-13-20/h7-9,14H,1-6,10-13H2
SMILES isoméricas C1CCC(CC1)(C2=CC(=CC=C2)N=C=S)N3CCCCC3
PubChem CID 114745
Peso molecular 300.5

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

KingdomOrganic compounds
SuperclassOrganic nitrogen compounds
ClasseOrganonitrogen compounds
SubclassAmines
Intermediate Tree Nodes Not available
Direct ParentAralkylamines
Alternative Parents Cyclohexylamines  Piperidines  Benzene and substituted derivatives  Trialkylamines  Isothiocyanates  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Cyclohexylamine - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
PRCP Tchem Lysosomal Pro-X carboxypeptidase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PRCP Tchem Lysosomal Pro-X carboxypeptidase (567 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Alvos associados (não humanos)
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Grin1 Glutamate NMDA receptor (6467 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados（CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
Peso molecular300.500 g/mol
XLogP35.000
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass300.166 Da
Monoisotopic Mass300.166 Da
Topological Polar Surface Area47.700 Ų
Heavy Atom Count21
Formal Charge0
Complexity377.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

Avaliações dos Clientes

Perguntas frequentes

How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 96316-00-6, the molecular formula is C18H24N2S, and the molecular weight is 300.5 g/mol. InChIKey FGSGBQAQSPSRJK-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.
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