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[ CAS No. 19293-58-4 ] {[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+
3d Animation Molecule Structure of 19293-58-4
Chemical Structure| 19293-58-4
Chemical Structure| 19293-58-4
Structure of 19293-58-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 19293-58-4 ]

CAS No. :19293-58-4 MDL No. :MFCD00466364
Formula : C9H14N2 Boiling Point : -
Linear Structure Formula :- InChI Key :PDJZOFLRRJQYBF-UHFFFAOYSA-N
M.W : 150.22 Pubchem ID :80826
Synonyms :

Calculated chemistry of [ 19293-58-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 48.32
TPSA : 29.26 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.76
Log Po/w (XLOGP3) : 1.3
Log Po/w (WLOGP) : 1.06
Log Po/w (MLOGP) : 1.53
Log Po/w (SILICOS-IT) : 1.0
Consensus Log Po/w : 1.33

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.86
Solubility : 2.06 mg/ml ; 0.0137 mol/l
Class : Very soluble
Log S (Ali) : -1.51
Solubility : 4.59 mg/ml ; 0.0306 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.54
Solubility : 0.438 mg/ml ; 0.00292 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 2.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.0

Safety of [ 19293-58-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P264-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501 UN#:2735
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 19293-58-4 ]

* 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.

  • Upstream synthesis route of [ 19293-58-4 ]
  • Downstream synthetic route of [ 19293-58-4 ]

[ 19293-58-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 19293-58-4 ]
  • [ 6083-47-2 ]
Reference: [1] Journal of Organic Chemistry, 2018, vol. 83, # 1, p. 260 - 266
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