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[ CAS No. 33263-43-3 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 33263-43-3
Chemical Structure| 33263-43-3
Chemical Structure| 33263-43-3
Structure of 33263-43-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 33263-43-3 ]

CAS No. :33263-43-3 MDL No. :MFCD04038136
Formula : C5H5ClN2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :DGIINIBYHCODIH-UHFFFAOYSA-N
M.W :192.62 Pubchem ID :118426
Synonyms :

Calculated chemistry of [ 33263-43-3 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 40.24
TPSA : 81.43 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.45 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.36
Log Po/w (XLOGP3) : 0.04
Log Po/w (WLOGP) : 1.46
Log Po/w (MLOGP) : -0.69
Log Po/w (SILICOS-IT) : 0.23
Consensus Log Po/w : 0.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.4
Solubility : 7.72 mg/ml ; 0.0401 mol/l
Class : Very soluble
Log S (Ali) : -1.3
Solubility : 9.59 mg/ml ; 0.0498 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.21
Solubility : 1.19 mg/ml ; 0.00617 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.88

Safety of [ 33263-43-3 ]

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

Application In Synthesis of [ 33263-43-3 ]

* 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 [ 33263-43-3 ]
  • Downstream synthetic route of [ 33263-43-3 ]

[ 33263-43-3 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 33263-44-4 ]
  • [ 33263-43-3 ]
Reference: [1] Journal of Medicinal Chemistry, 1993, vol. 36, # 21, p. 3211 - 3213
[2] Patent: WO2003/97603, 2003, A1, . Location in patent: Page/Page column 31-32
  • 2
  • [ 51498-37-4 ]
  • [ 33263-43-3 ]
Reference: [1] Journal of Medicinal Chemistry, 1993, vol. 36, # 21, p. 3211 - 3213
[2] Patent: US6310214, 2001, B1,
  • 3
  • [ 626-64-2 ]
  • [ 33263-43-3 ]
Reference: [1] Arzneimittel-Forschung, 1988, vol. 38, # 1 A, p. 144 - 150
  • 4
  • [ 33263-43-3 ]
  • [ 108-44-1 ]
  • [ 1795-48-8 ]
  • [ 56211-40-6 ]
Reference: [1] Arzneimittel-Forschung, 1988, vol. 38, # 1 A, p. 144 - 150
  • 5
  • [ 33263-43-3 ]
  • [ 108-44-1 ]
  • [ 72811-73-5 ]
Reference: [1] Acta Crystallographica Section C: Crystal Structure Communications, 2005, vol. 61, # 11, p. o648-o651
[2] European Journal of Medicinal Chemistry, 1995, vol. 30, # 4, p. 343 - 351
[3] Patent: WO2003/97603, 2003, A1, . Location in patent: Page/Page column 33-34; 40-41
[4] Patent: WO2003/97603, 2003, A1, . Location in patent: Page/Page column 42
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