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[ CAS No. 332382-54-4 ] {[proInfo.proName]}

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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+
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Chemical Structure| 332382-54-4
Chemical Structure| 332382-54-4
Structure of 332382-54-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 332382-54-4 ]

CAS No. :332382-54-4 MDL No. :MFCD01956583
Formula : C22H22N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :KDDHBJICVBONAX-UHFFFAOYSA-N
M.W : 362.42 Pubchem ID :2880983
Synonyms :
Mucolipin synthetic agonist 1

Calculated chemistry of [ 332382-54-4 ]

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.32
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 110.51
TPSA : 57.69 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.15 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.28
Log Po/w (XLOGP3) : 3.32
Log Po/w (WLOGP) : 2.84
Log Po/w (MLOGP) : 3.54
Log Po/w (SILICOS-IT) : 3.3
Consensus Log Po/w : 3.26

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.31
Solubility : 0.0178 mg/ml ; 0.000049 mol/l
Class : Moderately soluble
Log S (Ali) : -4.21
Solubility : 0.0225 mg/ml ; 0.000062 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.97
Solubility : 0.000387 mg/ml ; 0.00000107 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.1

Safety of [ 332382-54-4 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P273-P301+P310-P501 UN#:2811
Hazard Statements:H301-H410 Packing Group:
GHS Pictogram:
Same Skeleton Products
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[ 332382-54-4 ]

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