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[ CAS No. 408523-59-1 ] 2,4-Dichloro-6-nitroquinoline

Cat. No.: A181041
Chemical Structure| 408523-59-1
Chemical Structure| 408523-59-1
Structure of 408523-59-1 * Storage: Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100mg $21.00 Inquiry Inquiry
97% 250mg $26.00 Inquiry Inquiry
97% 1g $103.00 Inquiry Inquiry
97% 5g $514.00 Inquiry Inquiry
97% 25g $1801.00 Inquiry Inquiry

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Product Details of [ 408523-59-1 ]

CAS No. :408523-59-1 MDL No. :MFCD08234680
Formula : C9H4Cl2N2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZHHMYLFTTXCPRJ-UHFFFAOYSA-N
M.W : 243.05 Pubchem ID :53422878
Synonyms :

Calculated chemistry of [ 408523-59-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 60.59
TPSA : 58.71 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : 3.61
Log Po/w (WLOGP) : 3.45
Log Po/w (MLOGP) : 2.6
Log Po/w (SILICOS-IT) : 1.5
Consensus Log Po/w : 2.62

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.05
Solubility : 0.0217 mg/ml ; 0.0000894 mol/l
Class : Moderately soluble
Log S (Ali) : -4.53
Solubility : 0.00717 mg/ml ; 0.0000295 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.32
Solubility : 0.0116 mg/ml ; 0.0000479 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.99

Safety of [ 408523-59-1 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 408523-59-1 ]

* 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 [ 408523-59-1 ]

[ 408523-59-1 ] Synthesis Path-Downstream   1~12

  • 2
  • [ 408523-59-1 ]
  • 2,4-dichloro-[6]quinolylamine [ No CAS ]
  • 3
  • [ 1596-52-7 ]
  • [ 10025-87-3 ]
  • [ 408523-59-1 ]
  • 4
  • [ 7755-92-2 ]
  • [ 408523-59-1 ]
  • [ 437708-89-9 ]
  • 6
  • [ 863723-28-8 ]
  • [ 408523-59-1 ]
  • 7
  • [ 110-85-0 ]
  • [ 408523-59-1 ]
  • [ 437708-76-4 ]
  • 8
  • [ 125600-42-2 ]
  • [ 503-38-8 ]
  • [ 408523-59-1 ]
  • 9
  • [ 503534-46-1 ]
  • [ 408523-59-1 ]
  • 10
  • [ 6293-83-0 ]
  • [ 408523-59-1 ]
  • 11
  • [ 183989-84-6 ]
  • [ 408523-59-1 ]
  • 12
  • [ 408523-59-1 ]
  • 4-chloro-2-(4-methyl-piperazin-1-yl)-6-nitro-quinoline [ No CAS ]
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