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Chemistry
Heterocyclic Building Blocks
Benzothiazoles
benzothiazol-amine
2-((4-(Ethyl(2-hydroxyethyl)amino)phenyl)diazenyl)-6-methoxy-3-methylbenzo[d]thiazol-3-ium methyl sulfate
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benzothiazol-amine

[ CAS No. 12270-13-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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| 12270-13-2
Chemical Structure| 12270-13-2
Structure of 12270-13-2 * Storage: {[proInfo.prStorage]}
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* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 12270-13-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 12270-13-2 ]

SDS Specification
Alternatived Products of [ 12270-13-2 ]

Product Details of [ 12270-13-2 ]

CAS No. :12270-13-2 MDL No. :MFCD00013334
Formula : C20H26N4O6S2 Boiling Point : -
Linear Structure Formula :- InChI Key :MHOFGBJTSNWTDT-UHFFFAOYSA-M
M.W : 482.57 Pubchem ID :83008
Synonyms :

Calculated chemistry of [ 12270-13-2 ]

Physicochemical Properties

Num. heavy atoms : 32
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.35
Num. rotatable bonds : 8
Num. H-bond acceptors : 8.0
Num. H-bond donors : 1.0
Molar Refractivity : 124.2
TPSA : 164.35 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : -3.07
Log Po/w (XLOGP3) : 3.55
Log Po/w (WLOGP) : 4.14
Log Po/w (MLOGP) : 1.84
Log Po/w (SILICOS-IT) : 4.32
Consensus Log Po/w : 2.16

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.89
Solubility : 0.00626 mg/ml ; 0.000013 mol/l
Class : Moderately soluble
Log S (Ali) : -6.69
Solubility : 0.0000994 mg/ml ; 0.000000206 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.58
Solubility : 0.00125 mg/ml ; 0.0000026 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 2.0 alert
Brenk : 4.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.88

Safety of [ 12270-13-2 ]

Signal Word:Danger Class:8
Precautionary Statements:P270-P273-P280-P301+P312-P338-P340-P351 UN#:1759
Hazard Statements:H302-H314-H373-H400 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 12270-13-2 ]

* 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 [ 12270-13-2 ]

[ 12270-13-2 ] Synthesis Path-Downstream   1~2

YieldReaction ConditionsOperation in experiment
Azofarbstoff(13),Dimethylsulfat;
YieldReaction ConditionsOperation in experiment
With ZnO/reduced graphene oxide composite In water at 25℃; for 0.666667h; Irradiation;
With dihydrogen peroxide In water for 0.333333h; Irradiation;
With activated carbon doped with TiO2 In water for 1h; UV-irradiation; 2.2.1. Photocatalytic Degradation The photocatalytic degradation experiment was carried out in batch-wise mode usingsix 1 L reactors coupled with UV-T8 blacklight-blue bulb of wavelength 400 nm andpower of 18W, (Philips, Eindhoren, The Netherlands), under constant stirring at a speedof 150 rpm [24]. The reactor was placed in a closed chamber with the UV-light placed ata distance of less than 2 cm. To establish the photocatalytic kinetics, 3 g of each catalyst(TiO2 and AC-TiO2) was added to 500 mL dye solution. The irradiation time (10±60 min)was varied while the solution was constantly stirred. At each time interval of 10 min,supernatant samples were collected with a syringe and filtered through a Whatman filter(Grade 5; 2.5 m). The kinetics degradation efficiency was monitored in terms of the CODremoval, by using Equation (1). To estimate the rate of reaction constants for the first-orderkinetic model (2), a plot of ln CoC vs t was developed: Removal efficiency (%) = C0 - Cf/C0 x 100 (1) ln C0/C = k1t (2) where, k1 is the first-order rate constant (min1), C0 is the initial COD concentration, t is time and Cf is the concentration at the specified time.

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