Imitrodast , CAS No.114686-12-3

CAS: 114686-12-3 Cat. No.: I667935 Fórmula: C13H12N2O2S Peso molecular: 260.31 PubChem CID: 65922
Disponível para encomenda
Synonyms
Imitrodast | Imitrodast [INN] | 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid | JCQ5G1KFHN | Benzo(b)thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)- | Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imi
Storage
Room temperature
★
Size
USA
Alemanha (EU)*
Price
Qty
1mg
I667935-1mg
Sob encomenda · 8–12 semanas

571,90US$

857,90US$
Gravar 286,00 US$ (33.34%)
5mg
I667935-5mg
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.
🧪
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
Imitrodast | Imitrodast [INN] | 2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid | JCQ5G1KFHN | Benzo(b)thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imidazol-1-ylmethyl)- | Benzo[b]thiophene-6-carboxylic acid, 4,5-dihydro-2-(1H-imi
Condições de armazenamento de armazenamento
Room temperature
Tipo de ação
INHIBITOR
Propriedades do produto
ALogP
1.7
Nomes e identificadores
Sorrisos canónicos
C1CC2=C(C=C1C(=O)O)SC(=C2)CN3C=CN=C3
IUPAC Name
2-(imidazol-1-ylmethyl)-4,5-dihydro-1-benzothiophene-6-carboxylic acid
InChIKey
KRBSZXUPPSXPAN-UHFFFAOYSA-N
INCHI
1S/C13H12N2O2S/c16-13(17)10-2-1-9-5-11(18-12(9)6-10)7-15-4-3-14-8-15/h3-6,8H,1-2,7H2,(H,16,17)
SMILES isoméricas
C1CC2=C(C=C1C(=O)O)SC(=C2)CN3C=CN=C3
PubChem CID
65922
Peso molecular
260.31

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
SuperclassOrganoheterocyclic compounds
ClasseAzoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentImidazolyl carboxylic acids and derivatives
Alternative Parents 2,3,5-trisubstituted thiophenes  N-substituted imidazoles  Heteroaromatic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Imidazolyl carboxylic acid derivative - 2,3,5-trisubstituted thiophene - N-substituted imidazole - Thiophene - Heteroaromatic compound - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as imidazolyl carboxylic acids and derivatives. These are organic compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an imidazole ring.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
TBXAS1 Tchem Thromboxane-A synthase (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TBXAS1 Tchem Thromboxane-A synthase (3355 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 molecular260.310 g/mol
XLogP31.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass260.062 Da
Monoisotopic Mass260.062 Da
Topological Polar Surface Area83.400 Ų
Heavy Atom Count18
Formal Charge0
Complexity372.000
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

Deseja que lhe enviemos uma mensagem quando tivermos descontos disponíveis?

Lembrar-me mais tarde

Obrigado! Por favor, verifique a sua caixa de entrada de e-mail para confirmar.

Ops! As notificações estão desativadas.