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[ CAS No. 2510-01-2 ] {[proInfo.proName]}

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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 2510-01-2
Chemical Structure| 2510-01-2
Chemical Structure| 2510-01-2
Structure of 2510-01-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2510-01-2 ]

CAS No. :2510-01-2 MDL No. :MFCD00183563
Formula : C12H8N2 Boiling Point : -
Linear Structure Formula :- InChI Key :LCLMCAQMRSYSBG-UHFFFAOYSA-N
M.W : 180.21 Pubchem ID :247356
Synonyms :

Calculated chemistry of [ 2510-01-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.3
TPSA : 47.58 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) : -6.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.94
Log Po/w (XLOGP3) : 1.91
Log Po/w (WLOGP) : 2.43
Log Po/w (MLOGP) : 1.49
Log Po/w (SILICOS-IT) : 2.76
Consensus Log Po/w : 2.11

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.48
Solubility : 0.6 mg/ml ; 0.00333 mol/l
Class : Soluble
Log S (Ali) : -2.53
Solubility : 0.529 mg/ml ; 0.00294 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.43
Solubility : 0.0673 mg/ml ; 0.000373 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.27

Safety of [ 2510-01-2 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P310+P330-P405 UN#:3439
Hazard Statements:H301-H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2510-01-2 ]

* 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 [ 2510-01-2 ]
  • Downstream synthetic route of [ 2510-01-2 ]

[ 2510-01-2 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 83-33-0 ]
  • [ 109-77-3 ]
  • [ 2510-01-2 ]
Reference: [1] Chemistry Letters, 2008, vol. 37, # 6, p. 570 - 571
[2] Phosphorus, Sulfur and Silicon and the Related Elements, 2007, vol. 182, # 7, p. 1535 - 1556
[3] Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1981, p. 774 - 782
[4] Russian Chemical Bulletin, 2003, vol. 52, # 10, p. 2235 - 2240
[5] Journal of Organic Chemistry, 2005, vol. 70, # 9, p. 3584 - 3591
[6] Journal of Organic Chemistry, 1966, vol. 31, p. 2784 - 2789
[7] Journal of the Chemical Society, 1961, p. 4705 - 4711
[8] Phosphorus, Sulfur and Silicon and the Related Elements, 1993, vol. 82, # 1-4, p. 91 - 98
[9] Journal of Organic Chemistry, 2013, vol. 78, # 14, p. 7154 - 7168
[10] Tetrahedron, 2018, vol. 74, # 16, p. 2073 - 2078
  • 2
  • [ 676169-08-7 ]
  • [ 2510-01-2 ]
Reference: [1] Journal of Organic Chemistry, 2013, vol. 78, # 14, p. 7154 - 7168
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