lifibrol - Moligand™ , CAS No.96609-16-4

CAS: 96609-16-4 Cat. No.: L611533 PubChem CID: 57112

GRADE & PURITY Moligand™

Synonyms

LIFIBROL [MART.] | Lifibrolum [INN-Latin] | Lifibrol [USAN:INN] | GTPL5885 | UNII-6KWX9X0Q5K | BENZOIC ACID, 4-(4-(4-(1,1-DIMETHYLETHYL)PHENYL)-2-HYDROXYBUTOXY)-, (+/-)- | LIFIBROL [USAN] | LIFIBROL [INN] | D04737 | DB12448 | K-12148 | LIFIBROL | AKOS0266

Storage

Room temperature

Specifications

Sinonimi

LIFIBROL [MART.] | Lifibrolum [INN-Latin] | Lifibrol [USAN:INN] | GTPL5885 | UNII-6KWX9X0Q5K | BENZOIC ACID, 4-(4-(4-(1,1-DIMETHYLETHYL)PHENYL)-2-HYDROXYBUTOXY)-, (+/-)- | LIFIBROL [USAN] | LIFIBROL [INN] | D04737 | DB12448 | K-12148 | LIFIBROL | AKOS0266

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Nomi e identificatori

• Sorrisi canonici: OC(COc1ccc(cc1)C(=O)O)CCc1ccc(cc1)C(C)(C)C
• IUPAC Name: 4-[4-(4-tert-butylphenyl)-2-hydroxybutoxy]benzoic acid
• InChIKey: LNXBEIZREVRNTF-UHFFFAOYSA-N
• INCHI: 1S/C21H26O4/c1-21(2,3)17-9-4-15(5-10-17)6-11-18(22)14-25-19-12-7-16(8-13-19)20(23)24/h4-5,7-10,12-13,18,22H,6,11,14H2,1-3H3,(H,23,24)
• Isomeri SMILES: CC(C)(C)C1=CC=C(C=C1)CCC(COC2=CC=C(C=C2)C(=O)O)O
• PubChem CID: 57112

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Phenylpropanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylpropanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanes
• Alternative Parents: Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
• External Descriptors: Not available

Data sources

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 342.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 342.183 Da
• Monoisotopic Mass: 342.183 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 399.000
• 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

Domande frequenti

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 96609-16-4. InChIKey LNXBEIZREVRNTF-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.