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[ CAS No. 14920-92-4 ] {[proInfo.proName]}

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Chemical Structure| 14920-92-4
Chemical Structure| 14920-92-4
Structure of 14920-92-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 14920-92-4 ]

CAS No. :14920-92-4 MDL No. :MFCD28369516
Formula : C11H20OSi2 Boiling Point : -
Linear Structure Formula :- InChI Key :AMNQQNTZDFYVGH-UHFFFAOYSA-N
M.W : 224.45 Pubchem ID :26965
Synonyms :

Calculated chemistry of [ 14920-92-4 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.45
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 67.99
TPSA : 9.23 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.3
Log Po/w (XLOGP3) : 4.22
Log Po/w (WLOGP) : 2.95
Log Po/w (MLOGP) : 2.78
Log Po/w (SILICOS-IT) : 0.28
Consensus Log Po/w : 2.71

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.01
Solubility : 0.022 mg/ml ; 0.0000979 mol/l
Class : Moderately soluble
Log S (Ali) : -4.12
Solubility : 0.0169 mg/ml ; 0.0000751 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.29
Solubility : 0.0115 mg/ml ; 0.0000514 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.94

Safety of [ 14920-92-4 ]

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 [ 14920-92-4 ]

* 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 [ 14920-92-4 ]
  • Downstream synthetic route of [ 14920-92-4 ]

[ 14920-92-4 ] Synthesis Path-Upstream   1~27

  • 1
  • [ 75-77-4 ]
  • [ 766-77-8 ]
  • [ 107-46-0 ]
  • [ 14920-92-4 ]
  • [ 56-33-7 ]
  • [ 768-33-2 ]
Reference: [1] Inorganica Chimica Acta, 2017, vol. 466, p. 376 - 381
  • 2
  • [ 4648-54-8 ]
  • [ 766-77-8 ]
  • [ 14920-92-4 ]
  • [ 56-33-7 ]
Reference: [1] Journal of Organometallic Chemistry, 2003, vol. 686, # 1-2, p. 52 - 57
  • 3
  • [ 5272-18-4 ]
  • [ 754-05-2 ]
  • [ 18178-59-1 ]
  • [ 14920-92-4 ]
Reference: [1] Tetrahedron Letters, 2008, vol. 49, # 8, p. 1310 - 1313
  • 4
  • [ 10519-96-7 ]
  • [ 768-33-2 ]
  • [ 14920-92-4 ]
YieldReaction ConditionsOperation in experiment
2.02 kg at 20℃; for 1 h; Large scale 1.12 kg of potassium trimethylsilanolate in 2 L of anhydrous tetrahydrofuran was added dropwise with stirring phenyldimethylchlorosilane1.25kg, dropwise, room temperature reaction 1h, filtered, concentrated, extracted with ether, dried and concentrated to give more than 98percent purity phenyl2.02 kg of pentamethyldisiloxane.
Reference: [1] Patent: CN107235996, 2017, A, . Location in patent: Paragraph 0023; 0024
  • 5
  • [ 75-77-4 ]
  • [ 5272-18-4 ]
  • [ 14920-92-4 ]
Reference: [1] Bulletin of the Chemical Society of Japan, 2000, vol. 73, # 6, p. 1409 - 1417
[2] Journal of Organometallic Chemistry, 1989, vol. 375, p. 33 - 38
  • 6
  • [ 107-46-0 ]
  • [ 56-33-7 ]
  • [ 14920-92-4 ]
Reference: [1] C. A., 1950, p. 4490
[2] C. A., 1949, p. 1803
[3] Journal of the American Chemical Society, 1952, vol. 74, p. 386 - 390
[4] Patent: US2451664, 1945, ,
[5] , Gmelin Handbook: Si: MVol.C, 96, page 260 - 264,
[6] C. A., 1949, p. 1803
[7] , Gmelin Handbook: Si: MVol.C, 96, page 260 - 264,
[8] Patent: US2451664, 1945, ,
[9] Patent: US2451664, 1945, ,
[10] Patent: US2451664, 1945, ,
[11] Patent: US2451664, 1945, ,
  • 7
  • [ 4648-54-8 ]
  • [ 766-77-8 ]
  • [ 14920-92-4 ]
Reference: [1] Journal of Organometallic Chemistry, 2003, vol. 686, # 1-2, p. 52 - 57
  • 8
  • [ 14642-79-6 ]
  • [ 1125-26-4 ]
  • [ 14920-92-4 ]
  • [ 17908-86-0 ]
Reference: [1] Synlett, 2006, # 5, p. 771 - 775
  • 9
  • [ 56-33-7 ]
  • [ 14920-92-4 ]
Reference: [1] Journal of the American Chemical Society, 1953, vol. 75, p. 5615 - 5618
  • 10
  • [ 75-77-4 ]
  • [ 17908-86-0 ]
  • [ 14920-92-4 ]
Reference: [1] RSC Advances, 2014, vol. 4, # 37, p. 19099 - 19102
  • 11
  • [ 1438-82-0 ]
  • [ 71-43-2 ]
  • [ 14920-92-4 ]
Reference: [1] Chemistry Letters, 2007, vol. 36, # 7, p. 910 - 911
  • 12
  • [ 766-77-8 ]
  • [ 80202-60-4 ]
  • [ 14920-92-4 ]
Reference: [1] Journal of the American Chemical Society, 2012, vol. 134, # 2, p. 848 - 851
  • 13
  • [ 75-77-4 ]
  • [ 768-33-2 ]
  • [ 1066-40-6 ]
  • [ 5272-18-4 ]
  • [ 14920-92-4 ]
  • [ 56-33-7 ]
Reference: [1] Russian Chemical Bulletin, 1997, vol. 46, # 4, p. 719 - 725
  • 14
  • [ 75-77-4 ]
  • [ 7646-75-5 ]
  • [ 14920-92-4 ]
Reference: [1] Journal of the American Chemical Society, 1953, vol. 75, p. 5615 - 5618
[2] , Gmelin Handbook: Si: MVol.C, 96, page 260 - 264,
  • 15
  • [ 1130-17-2 ]
  • [ 14920-92-4 ]
Reference: [1] J. Gen. Chem. USSR (Engl. Transl.), 1986, vol. 56, p. 773 - 778[2] Zhurnal Obshchei Khimii, 1986, vol. 56, # 4, p. 877 - 883
[3] Journal of Organometallic Chemistry, 1978, vol. 149, p. 279 - 287
[4] J. Gen. Chem. USSR (Engl. Transl.), 1986, vol. 56, p. 773 - 778[5] Zhurnal Obshchei Khimii, 1986, vol. 56, # 4, p. 877 - 883
  • 16
  • [ 75-77-4 ]
  • [ 768-33-2 ]
  • [ 107-46-0 ]
  • [ 5272-18-4 ]
  • [ 14920-92-4 ]
  • [ 56-33-7 ]
Reference: [1] Russian Chemical Bulletin, 1997, vol. 46, # 4, p. 719 - 725
  • 17
  • [ 1825-62-3 ]
  • [ 1825-58-7 ]
  • [ 14920-92-4 ]
Reference: [1] Patent: US2451664, 1945, ,
  • 18
  • [ 75-77-4 ]
  • [ 768-33-2 ]
  • [ 14920-92-4 ]
Reference: [1] Patent: US2451664, 1945, ,
  • 19
  • [ 107-46-0 ]
  • [ 768-33-2 ]
  • [ 14920-92-4 ]
Reference: [1] Zhurnal Obshchei Khimii, 1959, vol. 29, p. 1534,1536,1539; engl.Ausg.S.1508,1509,1511
  • 20
  • [ 1825-61-2 ]
  • [ 5272-18-4 ]
  • [ 67-56-1 ]
  • [ 14920-92-4 ]
Reference: [1] Advanced Synthesis and Catalysis, 1996, vol. 338, # 4, p. 376 - 379
  • 21
  • [ 1825-62-3 ]
  • [ 5272-18-4 ]
  • [ 64-17-5 ]
  • [ 14920-92-4 ]
Reference: [1] Advanced Synthesis and Catalysis, 1996, vol. 338, # 4, p. 376 - 379
  • 22
  • [ 5796-98-5 ]
  • [ 766-77-8 ]
  • [ 14920-92-4 ]
Reference: [1] Journal of Organometallic Chemistry, 1975, vol. 94, p. 367 - 376
  • 23
  • [ 2004-14-0 ]
  • [ 768-33-2 ]
  • [ 14920-92-4 ]
Reference: [1] J. Gen. Chem. USSR (Engl. Transl.), 1983, vol. 53, # 9, p. 1881 - 1887[2] Zhurnal Obshchei Khimii, 1983, vol. 53, # 9, p. 2085 - 2091
  • 24
  • [ 7647-01-0 ]
  • [ 75-77-4 ]
  • [ 768-33-2 ]
  • [ 14920-92-4 ]
Reference: [1] Patent: US2451664, 1945, ,
  • 25
  • [ 7647-01-0 ]
  • [ 1825-62-3 ]
  • [ 1825-58-7 ]
  • [ 14920-92-4 ]
Reference: [1] Patent: US2451664, 1945, ,
  • 26
  • [ 7647-01-0 ]
  • [ 107-46-0 ]
  • [ 56-33-7 ]
  • [ 14920-92-4 ]
Reference: [1] Patent: US2451664, 1945, ,
  • 27
  • [ 107-46-0 ]
  • [ 7664-93-9 ]
  • [ 56-33-7 ]
  • [ 14920-92-4 ]
  • [ 18407-16-4 ]
Reference: [1] Patent: US2451664, 1945, ,
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