N-biotinyl-dodecanoic acid - ≥98% , CAS No.135447-73-3

CAS: 135447-73-3 Cat. No.: N491845 Formula: C₂₂H₃₉N₃O₄S Peso molecolare: 441.628

GRADE & PURITY ≥98%

Synonyms

N-Biotinyl-12-aminododecanoic Acid|135447-73-3|12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoic acid|12-(5-((3AS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)dodecanoic acid|SCHEMBL1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

N-Biotinyl-12-aminododecanoic Acid | 135447-73-3 | 12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoic acid | 12-(5-((3AS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)dodecanoic acid | SCHEMBL1

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504768930

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504768930

Sorrisi canonici

C1C2C(C(S1)CCCCC(=O)NCCCCCCCCCCCC(=O)O)NC(=O)N2

IUPAC Name

12-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]dodecanoic acid

InChIKey

ALIFRMFPRBTNNH-WFXMLNOXSA-N

INCHI

1S/C22H39N3O4S/c26-19(13-10-9-12-18-21-17(16-30-18)24-22(29)25-21)23-15-11-7-5-3-1-2-4-6-8-14-20(27)28/h17-18,21H,1-16H2,(H,23,26)(H,27,28)(H2,24,25,29)/t17-,18-,21-/m0/s1

Isomeri SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCCCCCCCCC(=O)O)NC(=O)N2

Peso molecolare

441.628

Reaxy-Rn

43823802

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43823802&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Biotin and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Biotin and derivatives
• Alternative Parents: Thienoimidazolidines Medium-chain fatty acids Heterocyclic fatty acids Imidazolidinones N-acyl amines Thiophenes Thiolanes Ureas Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Medium-chain fatty acid - Thienoimidazolidine - Heterocyclic fatty acid - Fatty amide - Imidazolidinone - Fatty acyl - Fatty acid - N-acyl-amine - Imidazolidine - Thiophene - Thiolane - Carboxamide group - Secondary carboxylic acid amide - Urea - Dialkylthioether - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 398.3°C
• Punto di ebollizione (°C): 735°C at 760 mmHg
• Peso molecolare: 441.600 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 17
• Exact Mass: 441.266 Da
• Monoisotopic Mass: 441.266 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 546.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 135447-73-3, the molecular formula is C22H39N3O4S, and the molecular weight is 441.628 g/mol. InChIKey ALIFRMFPRBTNNH-WFXMLNOXSA-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.