(+)-Biotinamidohexanoic acid hydrazide - ≥93% , CAS No.109276-34-8

CAS: 109276-34-8 Cat. No.: B293846 Molecular Weight: 371.5 EC Number: 600-909-8

GRADE & PURITY ≥93%

Synonyms

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(6-hydrazinyl-6-oxohexyl)pentanamide | Biotin Aminocaproyl Hydrazide | Biotinamidocaproyl hydrazide | lc-(+)-Biotin hydrazide | (+)-Biotinamidohexanoic acid hydrazide, >=90% (TLC),

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

5-[(3aS, 4S, 6aR)-2-oxo-1, 3, 3a, 4, 6, 6a-hexahydrothieno[3, 4-d]imidazol-4-yl]-N-(6-hydrazinyl-6-oxohexyl)pentanamide | Biotin Aminocaproyl Hydrazide | Biotinamidocaproyl hydrazide | lc-(+)-Biotin hydrazide | (+)-Biotinamidohexanoic acid hydrazide, >=90% (TLC),

Specifications & Purity

≥93%

Storage

Protected from light, Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Purity

≥93%

Names and Identifiers

• Pubchem Sid: 504755735
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755735
• Canonical Smiles: C1C2C(C(S1)CCCCC(=O)NCCCCCC(=O)NN)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-(6-hydrazinyl-6-oxohexyl)pentanamide
• InChIKey: IJJWOSAXNHWBPR-HUBLWGQQSA-N
• INCHI: 1S/C16H29N5O3S/c17-21-14(23)8-2-1-5-9-18-13(22)7-4-3-6-12-15-11(10-25-12)19-16(24)20-15/h11-12,15H,1-10,17H2,(H,18,22)(H,21,23)(H2,19,20,24)/t11-,12-,15-/m0/s1
• Isomeric SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCC(=O)NN)NC(=O)N2
• WGK Germany: 3
• Molecular Weight: 371.5
• Reaxy-Rn: 14547051
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14547051&ln=

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: Thienoimidazolidines N-acyl amines Imidazolidinones Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Carboxylic acid hydrazides Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty amide - Imidazolidinone - N-acyl-amine - Fatty acyl - Imidazolidine - Thiolane - Thiophene - Carboxamide group - Carboxylic acid hydrazide - Carbonic acid derivative - Secondary carboxylic acid amide - Urea - Azacycle - Thioether - Dialkylthioether - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive；Moisture sensitive； Heat sensitive
• Refractive Index: n20D1.54
• Melt Point(°C): 211° C
• Molecular Weight: 371.500 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 371.199 Da
• Monoisotopic Mass: 371.199 Da
• Topological Polar Surface Area: 151.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 477.000
• 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