Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed S   > Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-y...
371942-69-7 structure

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one,3',6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

Iupac Name:6-amino-N-[3-(4-morpholin-4-ylpyrido[2,3]furo[2,4-b]pyrimidin-2-yl)phenyl]pyridine-3-carboxamide
CAS No.:371942-69-7
Molecular Weight:467.489
Molecular Formula:C9H10BRN3 (isomer)
Names and Identifiers
Synonyms

3 ,6 -bis(pinacolatoboron)fluoran 3',6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)spiro[isobenzofuran-1,9'-[9h]xanthene]-3-one Peroxyfluor1 SCHEMBL13058015

Inchi
InChI=1S/C25H21N7O3/c26-19-7-6-16(14-28-19)24(33)29-17-4-1-3-15(13-17)22-30-20-18-5-2-8-27-25(18)35-21(20)23(31-22)32-9-11-34-12-10-32/h1-8,13-14H,9-12H2,(H2,26,28)(H,29,33)
InChkey
YBPIBGNBHHGLEB-UHFFFAOYSA-N
Canonical Smiles
C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)NC(=O)C6=CN=C(C=C6)N
Computational chemical data
  • Molecular Weight:467.489g/mol
  • Molecular Formula:C9H10BRN3
  • Compound Is Canonicalized:True
  • Exact Mass:467.171
  • Monoisotopic Mass:467.171
  • Complexity:738
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:9
  • Topological Polar Surface Area:132A^2
  • Heavy Atom Count:35
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7sAAAAAAAAAAAAAAAAAAAASAAAAA8WLFiAAAAAFgB/gAAHgAQAAAADAzhnwY99vfIFECo A7d3dASCiCk/YqAJ2CG9bNiOLvrE/fuPPaju1hvY6ee82QIOAAAAQAAAAAAAAACAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-571-85586718
  • Fax:86-571-85864795
Recommended Suppliers
  • Tel:86-25-83697070
  • Fax:86-25-83453275
  • Tel:86-21-61124658
  • Fax:86-21-61294103
  • Tel:+86-025-58535435
  • Fax:
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
  • Tel:86-571-85586718
  • Fax:86-571-85864795
 
<