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[ CAS No. 5423-67-6 ] 1,2,3,4-Tetrahydrobenzo[h]quinolin-3-ol

Cat. No.: A168056
Chemical Structure| 5423-67-6
Chemical Structure| 5423-67-6
Structure of 5423-67-6 * Storage: Keep in dark place,Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 100mg $19.00 Inquiry Inquiry
95% 250mg $24.00 Inquiry Inquiry
95% 1g $31.00 Inquiry Inquiry
95% 5g $98.00 Inquiry Inquiry

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* Storage: Keep in dark place,Sealed in dry,Room Temperature

* Shipping: Normal

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Product Details of [ 5423-67-6 ]

CAS No. :5423-67-6 MDL No. :MFCD00507345
Formula : C13H13NO Boiling Point : No data available
Linear Structure Formula :- InChI Key :WKJMQLMWPMZUQH-UHFFFAOYSA-N
M.W : 199.25 Pubchem ID :95477
Synonyms :

Calculated chemistry of [ 5423-67-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.23
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 2.0
Molar Refractivity : 65.01
TPSA : 32.26 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.77
Log Po/w (XLOGP3) : 2.57
Log Po/w (WLOGP) : 1.6
Log Po/w (MLOGP) : 2.07
Log Po/w (SILICOS-IT) : 2.55
Consensus Log Po/w : 2.11

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.19
Solubility : 0.129 mg/ml ; 0.000649 mol/l
Class : Soluble
Log S (Ali) : -2.9
Solubility : 0.253 mg/ml ; 0.00127 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.15
Solubility : 0.014 mg/ml ; 0.0000701 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.22

Safety of [ 5423-67-6 ]

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

Application In Synthesis of [ 5423-67-6 ]

* 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 [ 5423-67-6 ]

[ 5423-67-6 ] Synthesis Path-Downstream   1~12

  • 2
  • [ 5423-67-6 ]
  • [ 233-34-1 ]
  • 4
  • [ 7719-09-7 ]
  • [ 5423-67-6 ]
  • [ 30426-97-2 ]
  • 6
  • (+-)-1-chloro-3-<1>naphthylamino-propan-2-ol [ No CAS ]
  • [ 5423-67-6 ]
  • 7
  • [ 7647-01-0 ]
  • [ 5423-67-6 ]
  • [ 7732-18-5 ]
  • [ 230-27-3 ]
  • [ 5223-80-3 ]
  • 8
  • [ 5423-67-6 ]
  • [ 118-92-3 ]
  • 6-[(2-carboxyphenyl)azo]-3-hydroxy-7,8-benzo-1,2,3,4-tetrahydroquinoline [ No CAS ]
  • 9
  • [ 5423-67-6 ]
  • [ 121-57-3 ]
  • 3-hydroxy-6-[(4-sulfophenyl)azo]-7,8-benzo-1,2,3,4-tetrahydroquinoline [ No CAS ]
  • 10
  • [ 5423-67-6 ]
  • [ 150-13-0 ]
  • 6-[(4-carboxyphenyl)azo]-3-hydroxy-7,8-benzo-1,2,3,4-tetrahydroquinoline [ No CAS ]
  • 11
  • [ 134-32-7 ]
  • [ 106-89-8 ]
  • [ 5423-67-6 ]
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