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[ CAS No. 5910-89-4 ] {[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+
Chemical Structure| 5910-89-4
Chemical Structure| 5910-89-4
Structure of 5910-89-4 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 5910-89-4 ]

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Product Citations

Product Details of [ 5910-89-4 ]

CAS No. :5910-89-4 MDL No. :MFCD00006144
Formula : C6H8N2 Boiling Point : -
Linear Structure Formula :N2C4H2(CH3)2 InChI Key :OXQOBQJCDNLAPO-UHFFFAOYSA-N
M.W : 108.14 Pubchem ID :22201
Synonyms :

Calculated chemistry of [ 5910-89-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 31.96
TPSA : 25.78 ?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) : -6.58 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.57
Log Po/w (XLOGP3) : 0.54
Log Po/w (WLOGP) : 1.09
Log Po/w (MLOGP) : -0.14
Log Po/w (SILICOS-IT) : 1.81
Consensus Log Po/w : 0.98

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.41
Solubility : 4.25 mg/ml ; 0.0393 mol/l
Class : Very soluble
Log S (Ali) : -0.65
Solubility : 24.0 mg/ml ; 0.222 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.36
Solubility : 0.471 mg/ml ; 0.00436 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.53

Safety of [ 5910-89-4 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P233-P240-P241-P242-P243-P261-P264-P270-P271-P280-P301+P312+P330-P303+P361+P353-P304+P340+P312-P305+P351+P338+P310-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501 UN#:1993
Hazard Statements:H226-H302-H315-H318-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 5910-89-4 ]

* 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 [ 5910-89-4 ]
  • Downstream synthetic route of [ 5910-89-4 ]

[ 5910-89-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 5910-89-4 ]
  • [ 41110-28-5 ]
Reference: [1] Journal of Organic Chemistry, 2002, vol. 67, # 2, p. 556 - 565
[2] International Journal of Molecular Sciences, 2018, vol. 19, # 10,
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