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[ CAS No. 3283-07-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3283-07-6
Chemical Structure| 3283-07-6
Structure of 3283-07-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 3283-07-6 ]

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Product Details of [ 3283-07-6 ]

CAS No. :3283-07-6 MDL No. :MFCD06657652
Formula : C30H28N6 Boiling Point : -
Linear Structure Formula :- InChI Key :LVPYYSKDNVAARK-UHFFFAOYSA-N
M.W : 472.58 Pubchem ID :76776
Synonyms :

Calculated chemistry of [ 3283-07-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 36
Num. arom. heavy atoms : 30
Fraction Csp3 : 0.0
Num. rotatable bonds : 6
Num. H-bond acceptors : 0.0
Num. H-bond donors : 4.0
Molar Refractivity : 153.43
TPSA : 110.56 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.16 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.35
Log Po/w (XLOGP3) : 5.67
Log Po/w (WLOGP) : 6.99
Log Po/w (MLOGP) : 4.58
Log Po/w (SILICOS-IT) : 2.55
Consensus Log Po/w : 4.63

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.56
Solubility : 0.000129 mg/ml ; 0.000000274 mol/l
Class : Poorly soluble
Log S (Ali) : -7.76
Solubility : 0.00000827 mg/ml ; 0.0000000175 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -9.55
Solubility : 0.000000132 mg/ml ; 0.0000000003 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 2.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.0

Safety of [ 3283-07-6 ]

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

Application In Synthesis of [ 3283-07-6 ]

* 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 [ 3283-07-6 ]
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