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[ CAS No. 143-66-8 ] {[proInfo.proName]}

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Chemical Structure| 143-66-8
Chemical Structure| 143-66-8
Structure of 143-66-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 143-66-8 ]

CAS No. :143-66-8 MDL No. :MFCD00011494
Formula : C24H20BNa Boiling Point : -
Linear Structure Formula :- InChI Key :HFSRCEJMTLMDLI-UHFFFAOYSA-N
M.W : 342.22 Pubchem ID :2723787
Synonyms :

Calculated chemistry of [ 143-66-8 ]

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 110.06
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 7.1
Log Po/w (WLOGP) : 3.06
Log Po/w (MLOGP) : 6.27
Log Po/w (SILICOS-IT) : 4.82
Consensus Log Po/w : 4.25

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.85
Solubility : 0.0000479 mg/ml ; 0.00000014 mol/l
Class : Poorly soluble
Log S (Ali) : -6.92
Solubility : 0.0000413 mg/ml ; 0.000000121 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -9.97
Solubility : 0.0000000366 mg/ml ; 0.0000000001 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.85

Safety of [ 143-66-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P301+P310-P305+P351+P338 UN#:2811
Hazard Statements:H301-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 143-66-8 ]

* 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 [ 143-66-8 ]
  • Downstream synthetic route of [ 143-66-8 ]

[ 143-66-8 ] Synthesis Path-Upstream   1~36

  • 1
  • [ 143-66-8 ]
  • [ 4595-60-2 ]
  • [ 7431-45-0 ]
Reference: [1] Chemical Communications, 2009, # 42, p. 6430 - 6432
  • 2
  • [ 585-70-6 ]
  • [ 143-66-8 ]
  • [ 52938-97-3 ]
Reference: [1] Advanced Synthesis and Catalysis, 2008, vol. 350, # 2, p. 315 - 320
[2] Tetrahedron, 2010, vol. 66, # 38, p. 7633 - 7641
  • 3
  • [ 583-55-1 ]
  • [ 143-66-8 ]
  • [ 2052-07-5 ]
  • [ 84-15-1 ]
Reference: [1] Tetrahedron, 1997, vol. 53, # 42, p. 14437 - 14450
[2] Russian Journal of General Chemistry, 1996, vol. 66, # 12, p. 1925 - 1938
  • 4
  • [ 143-66-8 ]
  • [ 7154-66-7 ]
  • [ 13047-06-8 ]
Reference: [1] Russian Chemical Bulletin, 2004, vol. 53, # 2, p. 364 - 369
  • 5
  • [ 89-55-4 ]
  • [ 143-66-8 ]
  • [ 323-87-5 ]
Reference: [1] Tetrahedron, 1997, vol. 53, # 42, p. 14437 - 14450
[2] Russian Journal of General Chemistry, 1996, vol. 66, # 12, p. 1925 - 1938
[3] Tetrahedron Letters, 2005, vol. 46, # 24, p. 4255 - 4259
  • 6
  • [ 6340-79-0 ]
  • [ 143-66-8 ]
  • [ 36330-85-5 ]
Reference: [1] Tetrahedron Letters, 2005, vol. 46, # 24, p. 4255 - 4259
  • 7
  • [ 143-66-8 ]
  • [ 99-91-2 ]
  • [ 59767-24-7 ]
Reference: [1] Heterocycles, 2014, vol. 89, # 11, p. 2562 - 2571
[2] Journal of Organometallic Chemistry, 2006, vol. 691, # 12, p. 2821 - 2826
  • 8
  • [ 13755-29-8 ]
  • [ 100-58-3 ]
  • [ 143-66-8 ]
Reference: [1] Bull. Acad. Sci. USSR, Div. Chem. Sci., 1955, p. 167[2] Izv. Akad. Nauk SSSr, Otd. Khim. Nauk, 1955, p. 187
[3] Zhurnal Analiticheskoi Khimii, 1959, vol. 14, p. 519 - 521[4] Zhurnal Analiticheskoi Khimii, 1959, vol. 14, p. 483 - 484
[5] Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1955, p. 167[6] Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1955, p. 187
[7] , Gmelin Handbook: Na: SVol.3, 4.3, page 1305 - 1312,
[8] , Gmelin Handbook: Na: SVol.3, 3.7, page 1233 - 1245,
  • 9
  • [ 3677-81-4 ]
  • [ 143-66-8 ]
Reference: [1] Pure and Applied Chemistry, [2] Pure and Applied Chemistry, 1991, vol. 63, p. 365 - 368
  • 10
  • [ 108-86-1 ]
  • [ 143-66-8 ]
Reference: [1] Tetrahedron, 2010, vol. 66, # 38, p. 7633 - 7641
  • 11
  • [ 109-63-7 ]
  • [ 100-58-3 ]
  • [ 143-66-8 ]
Reference: [1] Zhurnal Analiticheskoi Khimii, 1954, vol. 9, p. 301 - 305[2] Zhurnal Analiticheskoi Khimii, 1954, vol. 9, p. 270 - 274
[3] , Gmelin Handbook: Na: SVol.3, 3.7, page 1233 - 1245,
  • 12
  • [ 124-41-4 ]
  • [ 14637-34-4 ]
  • [ 143-66-8 ]
Reference: [1] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
[2] Chem. Prumysl., 1959, vol. 9, p. 77
[3] , Gmelin Handbook: Na: SVol.3, 3.7, page 1233 - 1245,
[4] Liebigs Annalen der Chemie, [5] Liebigs Annalen der Chemie, 1951, vol. 573, p. 195 - 209
[6] , Gmelin Handbook: Na: SVol.3, 3.7, page 1233 - 1245,
[7] Liebigs Annalen der Chemie, [8] Liebigs Annalen der Chemie, 1951, vol. 573, p. 195 - 209
  • 13
  • [ 3244-41-5 ]
  • [ 143-66-8 ]
Reference: [1] Chemiker-Zeitung, [2] Chemiker-Zeitung, 1957, vol. 81, p. 357 - 359
[3] Chemiker-Zeitung, [4] Chemiker-Zeitung, 1957, vol. 81, p. 357 - 359
[5] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
[6] Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), [7] Zhurnal Prikladnoi Khimii (Sankt-Peterburg, Russian Federation), 1973, vol. 46, p. 1367 - 1368
[8] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
[9] , Gmelin Handbook: Na: SVol.3, 3.7, page 1233 - 1245,
  • 14
  • [ 960-71-4 ]
  • [ 143-66-8 ]
Reference: [1] Angewandte Chemie, 1969, vol. 81, p. 261
  • 15
  • [ 109-63-7 ]
  • [ 100-58-3 ]
  • [ 7647-14-5 ]
  • [ 143-66-8 ]
Reference: [1] Patent: DE872493, 1953, ,
[2] C.A., 1959, p. 4211
[3] C., 1955, p. 3933
[4] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
[5] C.A., 1954, p. 9279
[6] , Gmelin Handbook: Na: SVol.3, 3.7, page 1233 - 1245,
[7] C.A., 1954, p. 9279
[8] Liebigs Annalen der Chemie, [9] Liebigs Annalen der Chemie, 1951, vol. 573, p. 195 - 209
[10] C.A., 1954, p. 9279
  • 16
  • [ 14637-34-4 ]
  • [ 1310-73-2 ]
  • [ 7664-41-7 ]
  • [ 143-66-8 ]
Reference: [1] Microchimica Acta, [2] Microchimica Acta, 1958, p. 241 - 247
[3] , Gmelin Handbook: Na: SVol.3, 3.7, page 1233 - 1245,
  • 17
  • [ 13755-29-8 ]
  • [ 100-58-3 ]
  • [ 7647-14-5 ]
  • [ 143-66-8 ]
Reference: [1] Zhurnal Obshchei Khimii, [2] Zhurnal Obshchei Khimii, 1962, vol. 32, p. 1358 - 1359
[3] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
[4] Zhurnal Obshchei Khimii, [5] Zhurnal Obshchei Khimii, 1961, vol. 31, p. 2922 - 2923
[6] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
[7] Bull. Acad. Sci. USSR Div. Chem. Sci., 1955, p. 167
[8] Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, [9] Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1955, p. 187
[10] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
  • 18
  • [ 7440-23-5 ]
  • [ 10294-34-5 ]
  • [ 108-90-7 ]
  • [ 143-66-8 ]
Reference: [1] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
[2] C.A., 1967, vol. 67, p. 11577
  • 19
  • [ 3244-41-5 ]
  • [ 143-66-8 ]
Reference: [1] C., 1957, p. 10880
[2] , Gmelin Handbook: Na: SVol.3, 3.7, page 1233 - 1245,
  • 20
  • [ 7637-07-2 ]
  • [ 497-19-8 ]
  • [ 100-58-3 ]
  • [ 143-66-8 ]
Reference: [1] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
[2] Liebigs Annalen der Chemie, [3] Liebigs Annalen der Chemie, 1951, vol. 573, p. 195 - 209
  • 21
  • [ 124-41-4 ]
  • [ 109-63-7 ]
  • [ 100-58-3 ]
  • [ 143-66-8 ]
Reference: [1] Chem. Prumysl, 1959, vol. 9, p. 77
[2] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
  • 22
  • [ 14983-42-7 ]
  • [ 497-19-8 ]
  • [ 100-58-3 ]
  • [ 143-66-8 ]
Reference: [1] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
[2] C.A., 1966, vol. 64, p. 15922
  • 23
  • [ 100-59-4 ]
  • [ 497-19-8 ]
  • [ 6378-62-7 ]
  • [ 143-66-8 ]
Reference: [1] , Gmelin Handbook: B: B-Verb.8, 11.2.4.1, page 173 - 175,
[2] C.A., 1966, vol. 64, p. 15922
  • 24
  • [ 143-66-8 ]
  • [ 3244-41-5 ]
Reference: [1] Thermochimica Acta, [2] Thermochimica Acta, 1985, vol. 91, p. 235 - 242
  • 25
  • [ 143-66-8 ]
  • [ 3244-41-5 ]
Reference: [1] Inorganic Chemistry, 2012, vol. 51, # 4, p. 2349 - 2358
  • 26
  • [ 143-66-8 ]
  • [ 3244-41-5 ]
Reference: [1] Thermochimica Acta, [2] Thermochimica Acta, 1989, vol. 152, p. 371 - 380
[3] Journal of Physical Chemistry A, 2004, vol. 108, # 47, p. 10551 - 10559
  • 27
  • [ 143-66-8 ]
  • [ 7647-14-5 ]
  • [ 3244-41-5 ]
Reference: [1] Inorganic Chemistry, 2012, vol. 51, # 4, p. 2349 - 2358
  • 28
  • [ 143-66-8 ]
  • [ 3244-41-5 ]
Reference: [1] Inorganica Chimica Acta, [2] Inorganica Chimica Acta, 1984, vol. 81, p. 121 - 126
  • 29
  • [ 143-66-8 ]
  • [ 7647-14-5 ]
  • [ 3244-41-5 ]
Reference: [1] Inorganic Chemistry, 2012, vol. 51, # 4, p. 2349 - 2358
  • 30
  • [ 143-66-8 ]
  • [ 3244-41-5 ]
Reference: [1] Canadian Journal of Chemistry, 1989, vol. 67, p. 2206 - 2208
  • 31
  • [ 143-66-8 ]
  • [ 98-86-2 ]
  • [ 7063-21-0 ]
Reference: [1] Journal of Organic Chemistry, 2011, vol. 76, # 20, p. 8413 - 8420
  • 32
  • [ 143-66-8 ]
  • [ 37366-09-9 ]
Reference: [1] Journal of Organometallic Chemistry, 1984, vol. 264, # 3, p. 365 - 378
  • 33
  • [ 197722-94-4 ]
  • [ 143-66-8 ]
  • [ 197723-00-5 ]
Reference: [1] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
[2] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
[3] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
  • 34
  • [ 245488-11-3 ]
  • [ 143-66-8 ]
  • [ 197723-00-5 ]
Reference: [1] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
[2] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
[3] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
  • 35
  • [ 245488-14-6 ]
  • [ 143-66-8 ]
  • [ 197723-00-5 ]
Reference: [1] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
[2] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
[3] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
  • 36
  • [ 245488-17-9 ]
  • [ 143-66-8 ]
  • [ 197723-00-5 ]
Reference: [1] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
[2] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
[3] European Journal of Inorganic Chemistry, 1999, # 9, p. 1551 - 1555
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