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[ CAS No. 569-61-9 ] Pararosaniline HCl

Cat. No.: A1457769
Chemical Structure| 569-61-9
Chemical Structure| 569-61-9
Structure of 569-61-9 * Storage: Keep in dark place,Inert atmosphere,Room temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
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* Storage: Keep in dark place,Inert atmosphere,Room temperature

Quality Control of [ 569-61-9 ]

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Product Details of [ 569-61-9 ]

CAS No. :569-61-9 MDL No. :MFCD00001657
Formula : C19H18ClN3 Boiling Point : -
Linear Structure Formula :- InChI Key :JUQPZRLQQYSMEQ-UHFFFAOYSA-N
M.W : 323.82 Pubchem ID :11292
Synonyms :
Chemical Name :4,4'-((4-Iminocyclohexa-2,5-dien-1-ylidene)methylene)dianiline hydrochloride

Calculated chemistry of [ 569-61-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 3.0
Molar Refractivity : 101.36
TPSA : 75.89 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.59
Log Po/w (WLOGP) : 4.62
Log Po/w (MLOGP) : 2.82
Log Po/w (SILICOS-IT) : 2.92
Consensus Log Po/w : 2.19

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.47
Solubility : 1.09 mg/ml ; 0.00336 mol/l
Class : Soluble
Log S (Ali) : -1.76
Solubility : 5.66 mg/ml ; 0.0175 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -4.99
Solubility : 0.00335 mg/ml ; 0.0000104 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.38

Safety of [ 569-61-9 ]

Signal Word:Danger Class:N/A
Precautionary Statements:P201-P202-P280-P312-P405-P501 UN#:N/A
Hazard Statements:H350 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 569-61-9 ]

* 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 [ 569-61-9 ]

[ 569-61-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 548-62-9 ]
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  • N,N'-dimethylpararosaniline [ No CAS ]
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  • [ 81260-56-2 ]
  • [ 619-60-3 ]
  • [ 611-98-3 ]
  • [ 3708-39-2 ]
  • C22H24N3(1+)*Cl(1-) [ No CAS ]
  • C21H22N3(1+)*Cl(1-) [ No CAS ]
  • C20H20N3(1+)*Cl(1-) [ No CAS ]
  • C23H26N3(1+)*Cl(1-) [ No CAS ]
  • [ 81260-55-1 ]
  • [ 123-30-8 ]
  • [ 71143-08-3 ]
  • [ 569-61-9 ]
  • crystal violet chloride [ No CAS ]
  • [ 90-94-8 ]
  • [ 5809-25-6 ]
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