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[ CAS No. 13925-03-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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 13925-03-6
Chemical Structure| 13925-03-6
Chemical Structure| 13925-03-6
Structure of 13925-03-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 13925-03-6 ]

CAS No. :13925-03-6 MDL No. :MFCD00055035
Formula : C7H10N2 Boiling Point : -
Linear Structure Formula :- InChI Key :RAFHQTNQEZECFL-UHFFFAOYSA-N
M.W : 122.17 Pubchem ID :26332
Synonyms :

Calculated chemistry of [ 13925-03-6 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.43
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 36.77
TPSA : 25.78 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) : -6.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.75
Log Po/w (XLOGP3) : 1.02
Log Po/w (WLOGP) : 1.35
Log Po/w (MLOGP) : 0.22
Log Po/w (SILICOS-IT) : 2.09
Consensus Log Po/w : 1.29

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.67
Solubility : 2.63 mg/ml ; 0.0215 mol/l
Class : Very soluble
Log S (Ali) : -1.15
Solubility : 8.63 mg/ml ; 0.0706 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.79
Solubility : 0.2 mg/ml ; 0.00164 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.94

Safety of [ 13925-03-6 ]

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 [ 13925-03-6 ]

* 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 [ 13925-03-6 ]
  • Downstream synthetic route of [ 13925-03-6 ]

[ 13925-03-6 ] Synthesis Path-Upstream   1~18

  • 1
  • [ 56-45-1 ]
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  • [ 55138-63-1 ]
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  • [ 15707-34-3 ]
Reference: [1] Food Chemistry, 2010, vol. 119, # 1, p. 214 - 219
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  • [ 56-45-1 ]
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Reference: [1] Food Chemistry, 2010, vol. 119, # 1, p. 214 - 219
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  • [ 56-45-1 ]
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  • [ 96-76-4 ]
  • [ 13925-03-6 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
  • [ 21835-01-8 ]
Reference: [1] Food Chemistry, 2010, vol. 119, # 1, p. 214 - 219
  • 4
  • [ 72-19-5 ]
  • [ 50-81-7 ]
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  • [ 13925-00-3 ]
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  • [ 13925-03-6 ]
  • [ 18138-05-1 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
  • [ 15707-23-0 ]
Reference: [1] Food Chemistry, 2010, vol. 119, # 1, p. 214 - 219
  • 5
  • [ 72-19-5 ]
  • [ 50-81-7 ]
  • [ 13925-00-3 ]
  • [ 13238-84-1 ]
  • [ 13360-65-1 ]
  • [ 1115-11-3 ]
  • [ 13925-03-6 ]
  • [ 18138-05-1 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
  • [ 15707-23-0 ]
  • [ 18138-04-0 ]
Reference: [1] Food Chemistry, 2010, vol. 119, # 1, p. 214 - 219
  • 6
  • [ 56-45-1 ]
  • [ 290-37-9 ]
  • [ 109-08-0 ]
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Reference: [1] Journal of Agricultural and Food Chemistry, 1999, vol. 47, # 10, p. 4332 - 4335
  • 7
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  • [ 13360-65-1 ]
  • [ 13925-03-6 ]
  • [ 13925-07-0 ]
  • [ 13925-08-1 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
  • [ 18138-04-0 ]
Reference: [1] Journal of Agricultural and Food Chemistry, 2012, vol. 60, # 18, p. 4697 - 4708
  • 8
  • [ 56-45-1 ]
  • [ 56-87-1 ]
  • [ 50-99-7 ]
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  • [ 13360-65-1 ]
  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 13925-03-6 ]
  • [ 13360-64-0 ]
Reference: [1] Journal of Agricultural and Food Chemistry, 2010, vol. 58, # 4, p. 2470 - 2478
  • 9
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  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 13925-03-6 ]
  • [ 13925-07-0 ]
  • [ 13360-64-0 ]
Reference: [1] Journal of Agricultural and Food Chemistry, 2010, vol. 58, # 4, p. 2470 - 2478
  • 10
  • [ 50-99-7 ]
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  • [ 290-37-9 ]
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  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 13925-03-6 ]
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Reference: [1] Journal of Agricultural and Food Chemistry, 2010, vol. 58, # 4, p. 2470 - 2478
  • 11
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  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 13925-03-6 ]
  • [ 13925-07-0 ]
  • [ 13360-64-0 ]
Reference: [1] Journal of Agricultural and Food Chemistry, 2010, vol. 58, # 4, p. 2470 - 2478
  • 12
  • [ 56-87-1 ]
  • [ 56-86-0 ]
  • [ 50-99-7 ]
  • [ 290-37-9 ]
  • [ 109-08-0 ]
  • [ 123-32-0 ]
  • [ 5910-89-4 ]
  • [ 13360-65-1 ]
  • [ 108-50-9 ]
  • [ 14667-55-1 ]
  • [ 13925-03-6 ]
  • [ 13925-07-0 ]
  • [ 13360-64-0 ]
Reference: [1] Journal of Agricultural and Food Chemistry, 2010, vol. 58, # 4, p. 2470 - 2478
  • 13
  • [ 492-62-6 ]
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  • [ 13360-65-1 ]
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  • [ 13925-07-0 ]
  • [ 13925-09-2 ]
  • [ 13925-08-1 ]
  • [ 13360-64-0 ]
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Reference: [1] Journal of Agricultural and Food Chemistry, 2012, vol. 60, # 18, p. 4697 - 4708
  • 14
  • [ 492-62-6 ]
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  • [ 290-37-9 ]
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  • [ 13238-84-1 ]
  • [ 13360-65-1 ]
  • [ 13925-03-6 ]
  • [ 13925-07-0 ]
  • [ 13925-09-2 ]
  • [ 13925-08-1 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
Reference: [1] Journal of Agricultural and Food Chemistry, 2012, vol. 60, # 18, p. 4697 - 4708
  • 15
  • [ 492-62-6 ]
  • [ 556-50-3 ]
  • [ 5910-89-4 ]
  • [ 13238-84-1 ]
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  • [ 80935-98-4 ]
  • [ 13925-03-6 ]
  • [ 13925-07-0 ]
  • [ 13925-08-1 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
Reference: [1] Journal of Agricultural and Food Chemistry, 2012, vol. 60, # 18, p. 4697 - 4708
  • 16
  • [ 492-62-6 ]
  • [ 56-41-7 ]
  • [ 56-87-1 ]
  • [ 290-37-9 ]
  • [ 5910-89-4 ]
  • [ 13925-00-3 ]
  • [ 13360-65-1 ]
  • [ 13925-03-6 ]
  • [ 13925-07-0 ]
  • [ 13925-08-1 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
  • [ 18138-04-0 ]
Reference: [1] Journal of Agricultural and Food Chemistry, 2012, vol. 60, # 18, p. 4697 - 4708
  • 17
  • [ 72-19-5 ]
  • [ 50-81-7 ]
  • [ 123-32-0 ]
  • [ 13925-00-3 ]
  • [ 13238-84-1 ]
  • [ 13360-65-1 ]
  • [ 13925-03-6 ]
  • [ 18138-05-1 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
  • [ 15707-23-0 ]
  • [ 18138-04-0 ]
Reference: [1] Food Chemistry, 2010, vol. 119, # 1, p. 214 - 219
  • 18
  • [ 72-19-5 ]
  • [ 50-81-7 ]
  • [ 13925-00-3 ]
  • [ 13238-84-1 ]
  • [ 13360-65-1 ]
  • [ 1115-11-3 ]
  • [ 13925-03-6 ]
  • [ 18138-05-1 ]
  • [ 13360-64-0 ]
  • [ 15707-34-3 ]
  • [ 15707-23-0 ]
  • [ 18138-04-0 ]
Reference: [1] Food Chemistry, 2010, vol. 119, # 1, p. 214 - 219
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