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[ CAS No. 74209-34-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 74209-34-0
Chemical Structure| 74209-34-0
Structure of 74209-34-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 74209-34-0 ]

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Product Details of [ 74209-34-0 ]

CAS No. :74209-34-0 MDL No. :MFCD00159910
Formula : C7H4BrN3O2 Boiling Point : -
Linear Structure Formula :- InChI Key :NFSTZPMYAZRZPC-UHFFFAOYSA-N
M.W : 242.03 Pubchem ID :1649
Synonyms :
Chemical Name :3-Bromo-7-nitro-1H-indazole

Calculated chemistry of [ 74209-34-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 52.62
TPSA : 74.5 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.07 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.18
Log Po/w (XLOGP3) : 2.41
Log Po/w (WLOGP) : 2.23
Log Po/w (MLOGP) : 1.87
Log Po/w (SILICOS-IT) : 0.51
Consensus Log Po/w : 1.64

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.31
Solubility : 0.12 mg/ml ; 0.000495 mol/l
Class : Soluble
Log S (Ali) : -3.62
Solubility : 0.0585 mg/ml ; 0.000242 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.15
Solubility : 0.171 mg/ml ; 0.000708 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.19

Safety of [ 74209-34-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 74209-34-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 74209-34-0 ]

[ 74209-34-0 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 101860-76-8 ]
  • [ 74209-34-0 ]
  • 4
  • [ 101860-76-8 ]
  • [ 7726-95-6 ]
  • [ 64-19-7 ]
  • [ 74209-34-0 ]
  • 5
  • [ 7726-95-6 ]
  • [ 64-19-7 ]
  • [ 2942-42-9 ]
  • [ 74209-34-0 ]
  • 6
  • [ 2942-42-9 ]
  • sodium hypobromite solution [ No CAS ]
  • [ 74209-34-0 ]
  • 9
  • [ 74209-34-0 ]
  • [ 64-17-5 ]
  • [ 98-68-0 ]
  • N-(3-bromo-1H-7-indazolyl)-4-methoxybenzenesulfonamide [ No CAS ]
  • N-(3-bromo-4-ethoxy-1H-7-indazolyl)-4-methoxybenzenesulfonamide [ No CAS ]
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