WAY-620521 - ≥98% , CAS No.315693-33-5

CAS: 315693-33-5 Cat. No.: W417687 Molecular Weight: 341.38 PubChem CID: 846619

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

inhibitor of urea transporter UT-B

Specifications

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Product Properties

• ALogP: 3.011
• HBD Count: 1
• Rotatable Bond: 3

Names and Identifiers

• Pubchem Sid: 488191607
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191607
• Canonical Smiles: C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC4=CC=CC=C4C=C3
• IUPAC Name: N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
• InChIKey: OMISXEFABJZMOB-UHFFFAOYSA-N
• INCHI: 1S/C18H15NO4S/c20-24(21,16-7-8-17-18(12-16)23-10-9-22-17)19-15-6-5-13-3-1-2-4-14(13)11-15/h1-8,11-12,19H,9-10H2
• Isomeric SMILES: C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC4=CC=CC=C4C=C3
• PubChem CID: 846619
• Molecular Weight: 341.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Sulfanilides Benzo-1,4-dioxanes Alkyl aryl ethers Para dioxins Organosulfonamides Aminosulfonyl compounds Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzo-1,4-dioxane - Benzodioxane - Naphthalene - Sulfanilide - Alkyl aryl ether - Para-dioxin - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Oxacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 341.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 341.072 Da
• Monoisotopic Mass: 341.072 Da
• Topological Polar Surface Area: 73.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 532.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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