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[ CAS No. 121588-79-2 ] {[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| 121588-79-2
Chemical Structure| 121588-79-2
Structure of 121588-79-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 121588-79-2 ]

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Product Citations

Product Details of [ 121588-79-2 ]

CAS No. :121588-79-2 MDL No. :MFCD20278175
Formula : C7H15NO Boiling Point : No data available
Linear Structure Formula :- InChI Key :SDMXLAZIFYYECU-UHFFFAOYSA-N
M.W : 129.20 Pubchem ID :409910
Synonyms :

Calculated chemistry of [ 121588-79-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 37.44
TPSA : 35.25 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.75 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : 0.47
Log Po/w (WLOGP) : 0.9
Log Po/w (MLOGP) : 0.57
Log Po/w (SILICOS-IT) : 0.81
Consensus Log Po/w : 0.94

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.87
Solubility : 17.4 mg/ml ; 0.135 mol/l
Class : Very soluble
Log S (Ali) : -0.78
Solubility : 21.5 mg/ml ; 0.166 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.82
Solubility : 19.7 mg/ml ; 0.153 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.21

Safety of [ 121588-79-2 ]

Signal Word:Danger Class:3,8
Precautionary Statements:P210-P240-P241-P242-P243-P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P370+P378-P403+P233-P403+P235-P405-P501 UN#:2733
Hazard Statements:H226-H302-H335-H314 Packing Group:Ⅱ
GHS Pictogram:

Application In Synthesis of [ 121588-79-2 ]

* 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 [ 121588-79-2 ]

[ 121588-79-2 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 61367-42-8 ]
  • [ 121588-79-2 ]
  • 2
  • [ 330785-84-7 ]
  • [ 121588-79-2 ]
  • C25H34ClN5O4 [ No CAS ]
  • 3
  • [ 121588-79-2 ]
  • [ 5334-40-7 ]
  • N-((1r,4r)-4-methoxycyclohexyl)-4-nitro-1H-pyrazole-3-carboxamide [ No CAS ]
  • 4
  • [ 121588-79-2 ]
  • 4-(2-fluorobenzamido)-N-(4-methoxycyclohexyl)-1H-pyrazole-3-carboxamide [ No CAS ]
  • 5
  • [ 121588-79-2 ]
  • N-(4-methoxycyclohexyl)-4-(2-(trifluoromethyl)benzamido)-1H-pyrazole-3-carboxamide [ No CAS ]
  • 6
  • [ 121588-79-2 ]
  • 4-(2-ethylbenzamido)-N-(4-methoxycyclohexyl)-1H-pyrazole-3-carboxamide [ No CAS ]
  • 7
  • [ 121588-79-2 ]
  • 4-(2-methoxybenzamido)-N-(4-methoxycyclohexyl)-1H-pyrazole-3-carboxamide [ No CAS ]
  • 8
  • [ 121588-79-2 ]
  • N-(4-methoxycyclohexyl)-4-(2-(phenylamino)benzamido)-1H-pyrazole-3-carboxamide [ No CAS ]
  • 9
  • [ 121588-79-2 ]
  • 4-(2-((2,3-dimethylphenyl)amino)benzamido)-N-(4-methoxycyclohexyl)-1H-pyrazole-3-carboxamide [ No CAS ]
  • 10
  • [ 121588-79-2 ]
  • 4-(2,6-dimethoxybenzamido)-N-(4-methoxycyclohexyl)-1H-pyrazole-3-carboxamide [ No CAS ]
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