Biotin-PEG7-NH2 - ≥95% , CAS No.1334172-76-7

CAS: 1334172-76-7 Cat. No.: B486631 Molecular Weight: 594.76

GRADE & PURITY ≥95%

Synonyms

N-(23-amino-3,6,9,12,15,18,21-heptaoxatricosyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide | MFCD21363308 | Biotin-PEG7-CH2CH2NH2 | BP-21622 | SCHEMBL21531161 | Biotin-PEG7-NH2 | HY-140898 | J-006376 | Biotin-PEG7-Amine | (3a

Storage

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

Shipped In

Ice chest + Ice pads

Overview

Application：

Applicated in medical research, drug-release, nanotechnology and new materials research, cell culture. In the study of ligand, polypeptide synthesis support, a graft polymer compounds, new materials, and polyethylene glycol-modified functional coatings and other aspects of the active compound.

Specifications

Synonyms

N-(23-amino-3, 6, 9, 12, 15, 18, 21-heptaoxatricosyl)-5-((3aS, 4S, 6aR)-2-oxohexahydro-1H-thieno[3, 4-d]imidazol-4-yl)pentanamide | MFCD21363308 | Biotin-PEG7-CH2CH2NH2 | BP-21622 | SCHEMBL21531161 | Biotin-PEG7-NH2 | HY-140898 | J-006376 | Biotin-PEG7-Amine | (3a

Specifications & Purity

≥95%

Storage

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

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN)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-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
• InChIKey: HRGIYGOBSBFLMX-LSQMVHIFSA-N
• INCHI: 1S/C26H50N4O9S/c27-5-7-33-9-11-35-13-15-37-17-19-39-20-18-38-16-14-36-12-10-34-8-6-28-24(31)4-2-1-3-23-25-22(21-40-23)29-26(32)30-25/h22-23,25H,1-21,27H2,(H,28,31)(H2,29,30,32)/t22-,23-,25-/m0/s1
• Isomeric SMILES: C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCN)NC(=O)N2
• Molecular Weight: 594.76
• Reaxy-Rn: 33949506
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33949506&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 Amino acids and derivatives Dialkylthioethers Dialkyl ethers Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Thienoimidazolidine - Fatty amide - Fatty acyl - Imidazolidinone - N-acyl-amine - Imidazolidine - Thiophene - Thiolane - Amino acid or derivatives - Carboxamide group - Urea - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Dialkylthioether - Thioether - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - 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

Chemical and Physical Properties

• Sensitivity: Light sensitive；Moisture sensitive
• Molecular Weight: 594.800 g/mol
• XLogP3: -1.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 28
• Exact Mass: 594.33 Da
• Monoisotopic Mass: 594.33 Da
• Topological Polar Surface Area: 186.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 653.000
• 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