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[ CAS No. 16182-15-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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| 16182-15-3
Chemical Structure| 16182-15-3
Structure of 16182-15-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 16182-15-3 ]

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Product Citations

Product Details of [ 16182-15-3 ]

CAS No. :16182-15-3 MDL No. :MFCD00007585
Formula : C9H14N2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :JQUBKTQDNVZHIY-UHFFFAOYSA-N
M.W : 214.28 Pubchem ID :85321
Synonyms :

Calculated chemistry of [ 16182-15-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 55.14
TPSA : 80.57 ?2

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) : -6.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.26
Log Po/w (XLOGP3) : 1.23
Log Po/w (WLOGP) : 1.84
Log Po/w (MLOGP) : 1.25
Log Po/w (SILICOS-IT) : 0.58
Consensus Log Po/w : 1.23

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.13
Solubility : 1.59 mg/ml ; 0.00744 mol/l
Class : Soluble
Log S (Ali) : -2.52
Solubility : 0.648 mg/ml ; 0.00302 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.18
Solubility : 0.14 mg/ml ; 0.000655 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.18

Safety of [ 16182-15-3 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P240-P210-P241-P264-P280-P370+P378-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362 UN#:1325
Hazard Statements:H315-H319-H228 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 16182-15-3 ]

* 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 [ 16182-15-3 ]

[ 16182-15-3 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 80370-42-9 ]
  • [ 16182-15-3 ]
  • ethyl 1-(2,4,6-trimethylbenzenesulfonyl)-1H-pyrazole-4-carboxylate [ No CAS ]
  • 2
  • [ 30780-19-9 ]
  • [ 16182-15-3 ]
  • (Z)-2,4,6-trimethyl-N'-(4-(4-nitrophenyl)butan-2-ylidene)benzenesulfonohydrazide [ No CAS ]
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