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[ CAS No. 19237-84-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 19237-84-4
Chemical Structure| 19237-84-4
Structure of 19237-84-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 19237-84-4 ]

CAS No. :19237-84-4 MDL No. :MFCD00058177
Formula : C19H22ClN5O4 Boiling Point : -
Linear Structure Formula :- InChI Key :WFXFYZULCQKPIP-UHFFFAOYSA-N
M.W : 419.86 Pubchem ID :68546
Synonyms :
Prazosin (hydrochloride);cp-12299-1;NSC 292810;Prazosin hydrochloride

Calculated chemistry of [ 19237-84-4 ]

Physicochemical Properties

Num. heavy atoms : 29
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.32
Num. rotatable bonds : 5
Num. H-bond acceptors : 6.0
Num. H-bond donors : 1.0
Molar Refractivity : 117.33
TPSA : 106.95 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.94 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.71
Log Po/w (WLOGP) : 1.83
Log Po/w (MLOGP) : 0.32
Log Po/w (SILICOS-IT) : 1.09
Consensus Log Po/w : 1.19

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.2
Solubility : 0.0263 mg/ml ; 0.0000626 mol/l
Class : Moderately soluble
Log S (Ali) : -4.61
Solubility : 0.0103 mg/ml ; 0.0000246 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.62
Solubility : 0.01 mg/ml ; 0.0000239 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.17

Safety of [ 19237-84-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 19237-84-4 ]

* 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.

  • Upstream synthesis route of [ 19237-84-4 ]
  • Downstream synthetic route of [ 19237-84-4 ]

[ 19237-84-4 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 67817-59-8 ]
  • [ 19237-84-4 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1980, vol. 17, # 4, p. 797 - 798
  • 2
  • [ 527-69-5 ]
  • [ 123-51-3 ]
  • [ 60547-97-9 ]
  • [ 19237-84-4 ]
Reference: [1] Patent: US4092315, 1978, A,
  • 3
  • [ 26961-27-3 ]
  • [ 19237-84-4 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1980, vol. 17, # 4, p. 797 - 798
  • 4
  • [ 43091-89-0 ]
  • [ 19237-84-4 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1980, vol. 17, # 4, p. 797 - 798
  • 5
  • [ 67817-56-5 ]
  • [ 19237-84-4 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1980, vol. 17, # 4, p. 797 - 798
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