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Chemistry
Organic Building Blocks
Aryls
2-Chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide
Chemistry
Organic Building Blocks
Aryls
Amines Chlorides Amides Benzene Compounds

[ CAS No. 15308-01-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 15308-01-7
Chemical Structure| 15308-01-7
Structure of 15308-01-7 * Storage: {[proInfo.prStorage]}
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* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 15308-01-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 15308-01-7 ]

SDS Specification
Alternatived Products of [ 15308-01-7 ]

Product Details of [ 15308-01-7 ]

CAS No. :15308-01-7 MDL No. :MFCD00437681
Formula : C14H10Cl3NO Boiling Point : -
Linear Structure Formula :- InChI Key :BPEUHDIEZQWRGC-UHFFFAOYSA-N
M.W : 314.59 Pubchem ID :84868
Synonyms :

Calculated chemistry of [ 15308-01-7 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.07
Num. rotatable bonds : 4
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 80.71
TPSA : 20.31 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.66
Log Po/w (XLOGP3) : 4.72
Log Po/w (WLOGP) : 4.9
Log Po/w (MLOGP) : 4.56
Log Po/w (SILICOS-IT) : 4.28
Consensus Log Po/w : 4.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.97
Solubility : 0.00339 mg/ml ; 0.0000108 mol/l
Class : Moderately soluble
Log S (Ali) : -4.88
Solubility : 0.00419 mg/ml ; 0.0000133 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.43
Solubility : 0.000116 mg/ml ; 0.000000368 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.21

Safety of [ 15308-01-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 15308-01-7 ]

* 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 [ 15308-01-7 ]
  • Downstream synthetic route of [ 15308-01-7 ]

[ 15308-01-7 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 15307-93-4 ]
  • [ 79-04-9 ]
  • [ 15308-01-7 ]
Reference： [1] Pharmaceutical Chemistry Journal, 1996, vol. 30, # 1, p. 38 - 40
[2] Journal of Medicinal Chemistry, 1990, vol. 33, # 9, p. 2358 - 2368
[3] European Journal of Medicinal Chemistry, 2009, vol. 44, # 3, p. 1355 - 1362
[4] Medicinal Chemistry Research, 2013, vol. 22, # 7, p. 3076 - 3084
  • 2
  • [ 3776-30-5 ]
  • [ 15308-01-7 ]
Reference： [1] Pharmaceutical Chemistry Journal, 1996, vol. 30, # 1, p. 38 - 40
  • 3
  • [ 123066-65-9 ]
  • [ 15308-01-7 ]
Reference： [1] Pharmaceutical Chemistry Journal, 1996, vol. 30, # 1, p. 38 - 40
  • 4
  • [ 15308-01-7 ]
  • [ 15307-79-6 ]
Reference： [1] Journal of Medicinal Chemistry, 1990, vol. 33, # 9, p. 2358 - 2368

Tags: 15308-01-7 synthesis path| 15308-01-7 SDS| 15308-01-7 COA| 15308-01-7 purity| 15308-01-7 application| 15308-01-7 NMR| 15308-01-7 COA| 15308-01-7 structure

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