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[ CAS No. 1529-17-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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+
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Chemical Structure| 1529-17-5
Chemical Structure| 1529-17-5
Structure of 1529-17-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1529-17-5 ]

CAS No. :1529-17-5 MDL No. :MFCD00053666
Formula : C9H14OSi Boiling Point : -
Linear Structure Formula :- InChI Key :OJAJJFGMKAZGRZ-UHFFFAOYSA-N
M.W : 166.29 Pubchem ID :73720
Synonyms :

Calculated chemistry of [ 1529-17-5 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 50.42
TPSA : 9.23 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) : -4.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.73
Log Po/w (XLOGP3) : 3.32
Log Po/w (WLOGP) : 2.9
Log Po/w (MLOGP) : 2.46
Log Po/w (SILICOS-IT) : 1.02
Consensus Log Po/w : 2.48

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.23
Solubility : 0.097 mg/ml ; 0.000583 mol/l
Class : Soluble
Log S (Ali) : -3.19
Solubility : 0.107 mg/ml ; 0.000645 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.4
Solubility : 0.067 mg/ml ; 0.000403 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.82

Safety of [ 1529-17-5 ]

Signal Word:Danger Class:3
Precautionary Statements:P261-P305+P351+P338 UN#:1993
Hazard Statements:H225-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1529-17-5 ]

* 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 [ 1529-17-5 ]
  • Downstream synthetic route of [ 1529-17-5 ]

[ 1529-17-5 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 7270-63-5 ]
  • [ 64-17-5 ]
  • [ 1529-17-5 ]
  • [ 17138-28-2 ]
Reference: [1] Journal of Organic Chemistry, 2016, vol. 81, # 17, p. 7760 - 7770
  • 2
  • [ 15761-38-3 ]
  • [ 124-38-9 ]
  • [ 1529-17-5 ]
  • [ 6003-05-0 ]
  • [ 115-11-7 ]
Reference: [1] Tetrahedron Letters, 1988, vol. 29, # 3, p. 303 - 306
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