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[ CAS No. 10465-78-8 ] {[proInfo.proName]}

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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 10465-78-8
Chemical Structure| 10465-78-8
Chemical Structure| 10465-78-8
Structure of 10465-78-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 10465-78-8 ]

CAS No. :10465-78-8 MDL No. :MFCD00008318
Formula : C6H12N4O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 172.19 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 10465-78-8 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 42.78
TPSA : 65.34 Ų

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) : -7.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.21
Log Po/w (XLOGP3) : 0.17
Log Po/w (WLOGP) : 0.8
Log Po/w (MLOGP) : 0.94
Log Po/w (SILICOS-IT) : -0.75
Consensus Log Po/w : 0.68

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.75
Solubility : 30.6 mg/ml ; 0.178 mol/l
Class : Very soluble
Log S (Ali) : -1.1
Solubility : 13.7 mg/ml ; 0.0795 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.09
Solubility : 140.0 mg/ml ; 0.811 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.17

Safety of [ 10465-78-8 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P210-P240-P241-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P370+P378-P403+P233-P405-P501 UN#:1325
Hazard Statements:H315-H319-H335-H228 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 10465-78-8 ]

* 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 [ 10465-78-8 ]
  • Downstream synthetic route of [ 10465-78-8 ]

[ 10465-78-8 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 17696-89-8 ]
  • [ 10465-78-8 ]
Reference: [1] Chemistry Letters, 1994, # 3, p. 539 - 542
[2] Journal of Organic Chemistry, 1963, vol. 28, p. 2419 - 2424
[3] Journal of Organic Chemistry, 1973, vol. 38, p. 2560 - 2562
  • 2
  • [ 124-40-3 ]
  • [ 1972-28-7 ]
  • [ 10465-78-8 ]
Reference: [1] Chemische Berichte, 1966, vol. 99, p. 2039 - 2051
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