(+)-Biotin Methyl Ester - ≥95% , CAS No.608-16-2

CAS: 608-16-2 Cat. No.: B339202 Formula: C₁₁H₁₈N₂O₃S Peso molecolare: 258.34

GRADE & PURITY ≥95%

Synonyms

d-biotin methyl ester | D-(+)-Biotin methyl ester | E75764 | NCGC00142566-01 | 1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, METHYL ESTER, (3AS-(3A.ALPHA.,4.BETA.,6A.ALPHA.))- | Biotin methyl ester | UNII-H3S7E3P0H6 | SCHEMBL132274 | METHY

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

d-biotin methyl ester | D-(+)-Biotin methyl ester | E75764 | NCGC00142566-01 | 1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, METHYL ESTER, (3AS-(3A.ALPHA.,4.BETA.,6A.ALPHA.))- | Biotin methyl ester | UNII-H3S7E3P0H6 | SCHEMBL132274 | METHY

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 504755732
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755732
• Sorrisi canonici: COC(=O)CCCCC1C2C(CS1)NC(=O)N2
• IUPAC Name: methyl 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
• InChIKey: BHEWJAXNLVWPSC-NRPADANISA-N
• INCHI: 1S/C11H18N2O3S/c1-16-9(14)5-3-2-4-8-10-7(6-17-8)12-11(15)13-10/h7-8,10H,2-6H2,1H3,(H2,12,13,15)/t7-,8-,10-/m0/s1
• Isomeri SMILES: COC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
• Peso molecolare: 258.34
• Reaxy-Rn: 245480
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=245480&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 Fatty acid methyl esters Imidazolidinones Thiophenes Thiolanes Methyl esters Ureas Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Biotin_derivative - Biotin - Thienoimidazolidine - Fatty acid ester - Fatty acid methyl ester - Imidazolidinone - Fatty acyl - Imidazolidine - Thiolane - Thiophene - Methyl ester - Urea - Carboxylic acid ester - Carbonic acid derivative - Dialkylthioether - Azacycle - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - 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

Obiettivi associati (umani)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Chloroform (Slightly), Methanol (Slightly)
• Punto di fusione (°C): 159-163° C
• Peso molecolare: 258.339 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 258.104 Da
• Monoisotopic Mass: 258.104 Da
• Topological Polar Surface Area: 92.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 311.000
• 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 ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 608-16-2, the molecular formula is C11H18N2O3S, and the molecular weight is 258.34 g/mol. InChIKey BHEWJAXNLVWPSC-NRPADANISA-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.