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[ CAS No. 635-26-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 635-26-7
Chemical Structure| 635-26-7
Structure of 635-26-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 635-26-7 ]

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Product Details of [ 635-26-7 ]

CAS No. :635-26-7 MDL No. :MFCD00012925
Formula : C7H11ClN2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :KJGFNDCSTWGUDT-UHFFFAOYSA-N
M.W : 158.63 Pubchem ID :71554
Synonyms :

Calculated chemistry of [ 635-26-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 2.0
Molar Refractivity : 44.47
TPSA : 38.05 ?2

Pharmacokinetics

GI absorption : Low
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) : -5.7 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.21
Log Po/w (WLOGP) : -1.79
Log Po/w (MLOGP) : 2.02
Log Po/w (SILICOS-IT) : 0.81
Consensus Log Po/w : 0.65

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.59
Solubility : 0.404 mg/ml ; 0.00255 mol/l
Class : Soluble
Log S (Ali) : -2.64
Solubility : 0.36 mg/ml ; 0.00227 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.43
Solubility : 0.589 mg/ml ; 0.00372 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.01

Safety of [ 635-26-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302+H312+H332-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 635-26-7 ]

* 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 [ 635-26-7 ]

[ 635-26-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 80370-42-9 ]
  • [ 635-26-7 ]
  • [ 741717-64-6 ]
  • 2
  • [ 635-26-7 ]
  • [ 1218-69-5 ]
  • C26H20N4O2Pt [ No CAS ]
  • 3
  • [ 635-26-7 ]
  • [ 1218-69-5 ]
  • C21H17N3O2 [ No CAS ]
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