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[ CAS No. 1883429-22-8 ] {[proInfo.proName]}

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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+
Chemical Structure| 1883429-22-8
Chemical Structure| 1883429-22-8
Structure of 1883429-22-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1883429-22-8 ]

CAS No. :1883429-22-8 MDL No. :MFCD30182324
Formula : C20H23N3O3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :BJFSUDWKXGMUKA-UHFFFAOYSA-N
M.W : 353.41 Pubchem ID :117072549
Synonyms :
Chemical Name :4-(4-((Dimethylamino)methyl)-2,5-dimethoxyphenyl)-2-methyl-2,7-naphthyridin-1(2H)-one

Calculated chemistry of [ 1883429-22-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 16
Fraction Csp3 : 0.3
Num. rotatable bonds : 5
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 103.16
TPSA : 56.59 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -7.46 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.43
Log Po/w (XLOGP3) : 1.4
Log Po/w (WLOGP) : 2.53
Log Po/w (MLOGP) : 1.44
Log Po/w (SILICOS-IT) : 3.14
Consensus Log Po/w : 2.39

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.04
Solubility : 0.323 mg/ml ; 0.000915 mol/l
Class : Soluble
Log S (Ali) : -2.19
Solubility : 2.27 mg/ml ; 0.00642 mol/l
Class : Soluble
Log S (SILICOS-IT) : -6.04
Solubility : 0.000319 mg/ml ; 0.000000904 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.0

Safety of [ 1883429-22-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P301+P310+P330 UN#:2811
Hazard Statements:H301 Packing Group:
GHS Pictogram:
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