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[ CAS No. 56128-29-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 56128-29-1
Chemical Structure| 56128-29-1
Chemical Structure| 56128-29-1
Structure of 56128-29-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 56128-29-1 ]

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Alternatived Products of [ 56128-29-1 ]

Product Details of [ 56128-29-1 ]

CAS No. :56128-29-1 MDL No. :MFCD11046862
Formula : C8H6ClN3 Boiling Point : -
Linear Structure Formula :- InChI Key :ODXNTVOPYNTGSF-UHFFFAOYSA-N
M.W : 179.61 Pubchem ID :12204219
Synonyms :

Calculated chemistry of [ 56128-29-1 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.12
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.31
TPSA : 38.67 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.03 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.04
Log Po/w (XLOGP3) : 1.92
Log Po/w (WLOGP) : 1.99
Log Po/w (MLOGP) : 0.98
Log Po/w (SILICOS-IT) : 2.53
Consensus Log Po/w : 1.89

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.78
Solubility : 0.298 mg/ml ; 0.00166 mol/l
Class : Soluble
Log S (Ali) : -2.36
Solubility : 0.792 mg/ml ; 0.00441 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.96
Solubility : 0.0198 mg/ml ; 0.00011 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.73

Safety of [ 56128-29-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 56128-29-1 ]

* 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 [ 56128-29-1 ]

[ 56128-29-1 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 56128-29-1 ]
  • [ 62-53-3 ]
  • 2-methyl-4-anilinopyrido<3,2-d>pyrimidine [ No CAS ]
YieldReaction ConditionsOperation in experiment
81% In methanol Ambient temperature;
YieldReaction ConditionsOperation in experiment
2-Methyl-4-hydroxy-1,3,5-triazanapthalin 4, POCl3;
Same Skeleton Products
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