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[ CAS No. 429-07-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 429-07-2
Chemical Structure| 429-07-2
Structure of 429-07-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 429-07-2 ]

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Alternatived Products of [ 429-07-2 ]

Product Details of [ 429-07-2 ]

CAS No. :429-07-2 MDL No. :MFCD00043179
Formula : C8H20F6NP Boiling Point : -
Linear Structure Formula :- InChI Key :KLKUOIXSIDDDCN-UHFFFAOYSA-N
M.W : 275.22 Pubchem ID :9885
Synonyms :

Calculated chemistry of [ 429-07-2 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 56.51
TPSA : 13.59 Ų

Pharmacokinetics

GI absorption : Low
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) : -8.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -0.73
Log Po/w (WLOGP) : 7.79
Log Po/w (MLOGP) : -0.55
Log Po/w (SILICOS-IT) : -1.23
Consensus Log Po/w : 1.06

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.82
Solubility : 41.4 mg/ml ; 0.151 mol/l
Class : Very soluble
Log S (Ali) : 0.92
Solubility : 2290.0 mg/ml ; 8.34 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -3.07
Solubility : 0.236 mg/ml ; 0.000859 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.83

Safety of [ 429-07-2 ]

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

Application In Synthesis of [ 429-07-2 ]

* 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 [ 429-07-2 ]

[ 429-07-2 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 14074-80-7 ]
  • [ 429-07-2 ]
  • [ 22031-12-5 ]
  • [((C6H5CC4H2N)3(C6H5CC4HN)Zn)2((C6H5)2PCH2)3OCCH3](2+)*2PF6(1-)=[((C6H5CC4H2N)3(C6H5CC4HN)Zn)2((C6H5)2PCH2)3OCCH3](PF6)2 [ No CAS ]
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