Cas no 461054-93-3 (Ko 143)

Ko 143 structure
Ko 143 structure
Product Name:Ko 143
CAS No:461054-93-3
MF:C26H35N3O5
MW:469.57
MDL:MFCD11042273
CID:68166
Update Time:2024-11-02

Ko 143 Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 3-((3S,6S,12aS)-6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)propanoate
    • Ko 143
    • Ko143 hydrate
    • tert-Butyl 3-((3S,6S,12aS)-6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7, 12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]...
    • Ko-143
    • (3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-(2-methylpropyl)-1,4-dioxopyrazino[1',2':1,6]pyrido[3,4-b]indole-3-propanoic acid 1,1-dimethylethyl ester
    • Ko143
    • C26H35N3O5
    • GTPL10007
    • Ko 143/Ko143
    • 6345AB
    • ABP000297
    • BDBM50305083
    • MDL: MFCD11042273
    • Inchi: 1S/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/m0/s1
    • InChI Key: NXNRAECHCJZNRF-JBACZVJFSA-N
    • SMILES: C12C[C@]3([H])N([C@](CC(C)C)([H])C=1NC1=CC(=CC=C21)OC)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC3=O

Computed Properties

  • Exact Mass: 469.25800
  • Monoisotopic Mass: 469.25767123 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 8
  • Complexity: 794
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 101
  • Molecular Weight: 469.6

Experimental Properties

  • Density: 1.24
  • Melting Point: 147 oC
  • Solubility: DMSO: >10mg/mL
  • PSA: 100.73000
  • LogP: 3.90400

Ko 143 Security Information

  • Symbol: GHS07
  • Signal Word:Warning
  • Hazard Statement: H315,H319,H335
  • Warning Statement: P261,P305+P351+P338
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: 26-36
  • Hazardous Material Identification: Xi
  • Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month

Ko 143 Pricemore >>

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