4,4'-Dimethoxy-trans-stilbene - ≥98% , CAS No.15638-14-9

CAS: 15638-14-9 Cat. No.: D155566 Molecular Weight: 240.3 Beilstein Registry Number: 6(4)6823

GRADE & PURITY ≥98%

Synonyms

1,1-(1E)-1,2-ETHENEDIYLBIS(4-METHOXYBENZENE) | BDBM50145702 | Benzene, 1,1'-(1E)-1,2-ethenediylbis[4-methoxy- | Bianisal | Benzene, 1,1'-(1,2-ethenediyl)bis[4-methoxy- | benzene, 1,1'-[(E)-1,2-ethenediyl]bis[4-methoxy- | UNII-AME9HMB99F | (E)-4,4-DIMETHOX

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

1, 1-(1E)-1, 2-ETHENEDIYLBIS(4-METHOXYBENZENE) | BDBM50145702 | Benzene, 1, 1'-(1E)-1, 2-ethenediylbis[4-methoxy- | Bianisal | Benzene, 1, 1'-(1, 2-ethenediyl)bis[4-methoxy- | benzene, 1, 1'-[(E)-1, 2-ethenediyl]bis[4-methoxy- | UNII-AME9HMB99F | (E)-4, 4-DIMETHOX

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488190919
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190919
• Canonical Smiles: COC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OC
• IUPAC Name: 1-methoxy-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
• InChIKey: CAWFCZIEFIQKRV-ONEGZZNKSA-N
• INCHI: 1S/C16H16O2/c1-17-15-9-5-13(6-10-15)3-4-14-7-11-16(18-2)12-8-14/h3-12H,1-2H3/b4-3+
• Isomeric SMILES: COC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)OC
• Molecular Weight: 240.3
• Beilstein: 6(4)6823
• Reaxy-Rn: 2052031
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052031&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Phenoxy compound - Methoxybenzene - Styrene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Associated Targets(Human)

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

Associated Targets(non-human)

srtA Sortase A (641 Activities)

Discover Target: srtA

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

Nqo1 NAD(P)H dehydrogenase [quinone] 1 (1058 Activities)

Discover Target: Nqo1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Melt Point(°C): 214 °C
• Molecular Weight: 240.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 240.115 Da
• Monoisotopic Mass: 240.115 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 220.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1