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[ CAS No. 38894-11-0 ] {[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| 38894-11-0
Chemical Structure| 38894-11-0
Structure of 38894-11-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 38894-11-0 ]

CAS No. :38894-11-0 MDL No. :MFCD00149370
Formula : C8H12ClN3OS Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 233.72 Pubchem ID :-
Synonyms :
Chemical Name :2-Hydrazono-3-methyl-2,3-dihydrobenzo[d]thiazole hydrochloride hydrate

Calculated chemistry of [ 38894-11-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.12
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 60.42
TPSA : 80.78 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.14 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.24
Log Po/w (WLOGP) : 1.75
Log Po/w (MLOGP) : 1.04
Log Po/w (SILICOS-IT) : 2.12
Consensus Log Po/w : 1.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.18
Solubility : 0.156 mg/ml ; 0.000667 mol/l
Class : Soluble
Log S (Ali) : -3.57
Solubility : 0.0626 mg/ml ; 0.000268 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.22
Solubility : 1.4 mg/ml ; 0.00598 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.73

Safety of [ 38894-11-0 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P301+P330+P331+P310-P305+P351+P338 UN#:2811
Hazard Statements:H301-H319 Packing Group:
GHS Pictogram:
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