Biotin-4-aminophenol - ≥99% , CAS No.901770-40-9

CAS: 901770-40-9 Cat. No.: B649716 Molecular Weight: 335.4 PubChem CID: 52905240

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Biotin-4-aminophenol is a biotin-phenol analog. Biotin-4-aminophenol generates free radicals and conjugates to tyrosine residues in proteins more efficiently and selectively than the previously reported BP1.

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Biotin-4-aminophenol is a biotin-phenol analog. Biotin-4-aminophenol generates free radicals and conjugates to tyrosine residues in proteins more efficiently and selectively than the previously reported BP1.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1C2C(C(S1)CCCCC(=O)NC3=CC=C(C=C3)O)NC(=O)N2
• IUPAC Name: 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-hydroxyphenyl)pentanamide
• InChIKey: YDEOZJVNXVKRLR-YDHLFZDLSA-N
• INCHI: 1S/C16H21N3O3S/c20-11-7-5-10(6-8-11)17-14(21)4-2-1-3-13-15-12(9-23-13)18-16(22)19-15/h5-8,12-13,15,20H,1-4,9H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1
• Isomeric SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NC3=CC=C(C=C3)O)NC(=O)N2
• PubChem CID: 52905240
• Molecular Weight: 335.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Biotin and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Anilides N-arylamides Thienoimidazolidines 1-hydroxy-2-unsubstituted benzenoids Imidazolidinones Fatty amides Thiolanes Thiophenes Ureas Secondary carboxylic acid amides Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Anilide - Thienoimidazolidine - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty amide - Imidazolidinone - Fatty acyl - Benzenoid - Imidazolidine - Thiolane - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Urea - Thioether - Azacycle - Carboxylic acid derivative - Dialkylthioether - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (298.13 mM; ultrasonic and warming and heat to 60°C)
• Molecular Weight: 335.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 335.13 Da
• Monoisotopic Mass: 335.13 Da
• Topological Polar Surface Area: 116.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 440.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1