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Home> Hot Product Listed S   > STOCK6S-95589
51800-98-7 structure

STOCK6S-95589

CAS No.:51800-98-7
Molecular Weight:248.24151
Molecular Formula:C22H26N2O4 (isomer)
Names and Identifiers
Synonyms

4-(2-chloro-4-fluorophenyl)-3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-4,5-dihydro-1h-pyrazolo[3,4-b]pyridin-6-ol 4-(2-chloro-4-fluorophenyl)-3-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-4h,5h,7h-pyrazolo[3,4-b]pyridin-6-one AKOS005671050 AKOS032409012 MCULE-8504160816 MOLPORT-008-343-287 MOLPORT-008-354-778 STK941809

Inchi
InChI=1/C12H15F3O2/c1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15/h6,17H,4-5H2,1-3H3/t6-,11-/m1/s1
InChkey
ISLOIHOAZDSEAJ-UHFFFAOYSA-N
Canonical Smiles
CC1(C2CCC1(C(=O)C2C(=O)C(F)(F)F)C)C
Isomers Smiles
C[C@@]12CC[C@@H](C1(C)C)C(C2=O)C(=O)C(F)(F)F
Properties
Refractive Index
n20/D 1.451(lit.)
Safety and Handling
Risk Statements
36/37/38
Safety Statements
S24/25
Computational chemical data
  • Molecular Weight:248.24151g/mol
  • Molecular Formula:C22H26N2O4
  • Exact Mass:248.102414
  • Monoisotopic Mass:248.102414
  • Complexity:397
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:34.1
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:+86-21-62960152,61525205,61538832,61538837
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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