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[ CAS No. 6485-79-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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+
Chemical Structure| 6485-79-6
Chemical Structure| 6485-79-6
Structure of 6485-79-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 6485-79-6 ]

CAS No. :6485-79-6 MDL No. :MFCD00009657
Formula : C9H22Si Boiling Point : -
Linear Structure Formula :- InChI Key :ZGYICYBLPGRURT-UHFFFAOYSA-N
M.W : 158.36 Pubchem ID :6327611
Synonyms :

Calculated chemistry of [ 6485-79-6 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.58
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
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) : -4.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.05
Log Po/w (XLOGP3) : 4.33
Log Po/w (WLOGP) : 3.44
Log Po/w (MLOGP) : 3.61
Log Po/w (SILICOS-IT) : 1.3
Consensus Log Po/w : 3.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.35
Solubility : 0.0705 mg/ml ; 0.000445 mol/l
Class : Soluble
Log S (Ali) : -4.04
Solubility : 0.0143 mg/ml ; 0.0000903 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.44
Solubility : 0.575 mg/ml ; 0.00363 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.95

Safety of [ 6485-79-6 ]

Signal Word:Danger Class:3
Precautionary Statements:P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235 UN#:1993
Hazard Statements:H225-H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 6485-79-6 ]

* 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 [ 6485-79-6 ]
  • Downstream synthetic route of [ 6485-79-6 ]

[ 6485-79-6 ] Synthesis Path-Upstream   1~19

  • 1
  • [ 366006-72-6 ]
  • [ 6485-79-6 ]
  • [ 18159-55-2 ]
Reference: [1] Journal of the American Chemical Society, 2001, vol. 123, # 35, p. 8622 - 8623
  • 2
  • [ 10025-78-2 ]
  • [ 1888-75-1 ]
  • [ 6485-79-6 ]
Reference: [1] , Gmelin Handbook: Si: MVol.C, 35, page 109 - 111,
[2] Journal of the American Chemical Society, [3] Journal of the American Chemical Society, 1947, vol. 69, p. 1499 - 1500
  • 3
  • [ 920-39-8 ]
  • [ 6485-79-6 ]
Reference: [1] Patent: US4841084, 1989, A,
  • 4
  • [ 1888-75-1 ]
  • [ 7440-21-3 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of the American Chemical Society, 1952, vol. 74, p. 1526
[2] , Gmelin Handbook: Si: MVol.C, 35, page 109 - 111,
  • 5
  • [ 75-29-6 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of Organic Chemistry, 1980, vol. 45, # 23, p. 4797 - 4798
[2] Journal of Organometallic Chemistry, 1975, vol. 90, p. 145 - 157
  • 6
  • [ 1888-75-1 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of the American Chemical Society, 1952, vol. 74, p. 1526
[2] Journal of the American Chemical Society, 1947, vol. 69, p. 1500
  • 7
  • [ 19753-69-6 ]
  • [ 18209-66-0 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of Organometallic Chemistry, 1980, vol. 195, # 2, p. 171 - 184
  • 8
  • [ 67-56-1 ]
  • [ 1068-55-9 ]
  • [ 33974-42-4 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 182 - 192
[2] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 182 - 192
  • 9
  • [ 1068-55-9 ]
  • [ 6485-79-6 ]
  • [ 7751-38-4 ]
Reference: [1] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 182 - 192
  • 10
  • [ 75-21-8 ]
  • [ 1068-55-9 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 182 - 192
  • 11
  • [ 1068-55-9 ]
  • [ 124-41-4 ]
  • [ 33974-42-4 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 182 - 192
  • 12
  • [ 1068-55-9 ]
  • [ 109-88-6 ]
  • [ 33974-42-4 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 182 - 192
  • 13
  • [ 1068-55-9 ]
  • [ 67-63-0 ]
  • [ 6485-79-6 ]
  • [ 56568-91-3 ]
Reference: [1] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 182 - 192
  • 14
  • [ 1068-55-9 ]
  • [ 75-65-0 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 182 - 192
  • 15
  • [ 1068-55-9 ]
  • [ 71-36-3 ]
  • [ 6485-79-6 ]
  • [ 75031-67-3 ]
Reference: [1] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 182 - 192
  • 16
  • [ 1068-55-9 ]
  • [ 111-27-3 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 182 - 192
  • 17
  • [ 4170-46-1 ]
  • [ 1068-55-9 ]
  • [ 6485-79-6 ]
Reference: [1] Journal of Organometallic Chemistry, 1971, vol. 31, p. 187 - 204
  • 18
  • [ 6485-79-6 ]
  • [ 13154-24-0 ]
Reference: [1] Tetrahedron Letters, 2009, vol. 50, # 36, p. 5080 - 5082
[2] Organometallics, 2012, vol. 31, # 8, p. 3199 - 3206
[3] Synthetic Communications, 1999, vol. 29, # 20, p. 3499 - 3501
[4] Journal of Organometallic Chemistry, 2006, vol. 691, # 1-2, p. 174 - 181
[5] ChemCatChem, 2016, vol. 8, # 3, p. 584 - 592
  • 19
  • [ 6485-79-6 ]
  • [ 1493-13-6 ]
  • [ 80522-42-5 ]
Reference: [1] Tetrahedron Letters, 1981, vol. 22, # 36, p. 3455 - 3458
[2] Advanced Synthesis and Catalysis, 2009, vol. 351, # 7-8, p. 1035 - 1040
[3] European Journal of Organic Chemistry, 2017, vol. 2017, # 17, p. 2512 - 2539
[4] European Journal of Organic Chemistry, 2017, vol. 2017, # 20, p. 2883 - 2915
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