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[ CAS No. 1484-13-5 ] {[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+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 1484-13-5
Chemical Structure| 1484-13-5
Structure of 1484-13-5 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1484-13-5 ]

CAS No. :1484-13-5 MDL No. :MFCD00004966
Formula : C14H11N Boiling Point : -
Linear Structure Formula :(C6H4)2N(CH2)CH InChI Key :KKFHAJHLJHVUDM-UHFFFAOYSA-N
M.W : 193.24 Pubchem ID :15143
Synonyms :

Calculated chemistry of [ 1484-13-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 13
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 65.83
TPSA : 4.93 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.08 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.56
Log Po/w (XLOGP3) : 4.78
Log Po/w (WLOGP) : 3.79
Log Po/w (MLOGP) : 3.29
Log Po/w (SILICOS-IT) : 3.36
Consensus Log Po/w : 3.56

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.62
Solubility : 0.00458 mg/ml ; 0.0000237 mol/l
Class : Moderately soluble
Log S (Ali) : -4.61
Solubility : 0.00469 mg/ml ; 0.0000243 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.58
Solubility : 0.00505 mg/ml ; 0.0000261 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.53

Safety of [ 1484-13-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P273-P201-P280-P391-P301+P310+P330 UN#:2811
Hazard Statements:H300-H312-H315-H317-H341-H410 Packing Group:Ⅱ
GHS Pictogram:
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