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[ CAS No. 87583-89-9 ] {[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 87583-89-9
Chemical Structure| 87583-89-9
Chemical Structure| 87583-89-9
Structure of 87583-89-9 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 87583-89-9 ]

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Product Details of [ 87583-89-9 ]

CAS No. :87583-89-9 MDL No. :MFCD00671528
Formula : C8H18N2 Boiling Point : -
Linear Structure Formula :- InChI Key :JRHPOFJADXHYBR-YUMQZZPRSA-N
M.W : 142.24 Pubchem ID :13822957
Synonyms :

Calculated chemistry of [ 87583-89-9 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 44.06
TPSA : 24.06 Ų

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) : -6.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.3
Log Po/w (XLOGP3) : 0.7
Log Po/w (WLOGP) : 0.74
Log Po/w (MLOGP) : 0.9
Log Po/w (SILICOS-IT) : 0.87
Consensus Log Po/w : 1.1

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.03
Solubility : 13.2 mg/ml ; 0.0931 mol/l
Class : Very soluble
Log S (Ali) : -0.78
Solubility : 23.5 mg/ml ; 0.165 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.94
Solubility : 1.64 mg/ml ; 0.0115 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 87583-89-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3259
Hazard Statements:H302-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 87583-89-9 ]

* 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 [ 87583-89-9 ]

[ 87583-89-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1144039-25-7 ]
  • [ 61798-24-1 ]
  • (S,S,Sp)-ferrocenylphosphinoimidazolidine [ No CAS ]
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