Home Cart 0 Sign in  

[ CAS No. 630127-51-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 630127-51-4
Chemical Structure| 630127-51-4
Structure of 630127-51-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 630127-51-4 ]

Related Doc. of [ 630127-51-4 ]

Alternatived Products of [ 630127-51-4 ]

Product Details of [ 630127-51-4 ]

CAS No. :630127-51-4 MDL No. :MFCD10697430
Formula : C11H15BO2Si Boiling Point : -
Linear Structure Formula :- InChI Key :MZUXXSJYZORMJL-UHFFFAOYSA-N
M.W : 218.13 Pubchem ID :46739765
Synonyms :

Calculated chemistry of [ 630127-51-4 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.27
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 66.49
TPSA : 40.46 Ų

Pharmacokinetics

GI absorption : High
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) : -5.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.02
Log Po/w (WLOGP) : 0.67
Log Po/w (MLOGP) : 1.76
Log Po/w (SILICOS-IT) : -0.68
Consensus Log Po/w : 0.96

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.33
Solubility : 0.103 mg/ml ; 0.000473 mol/l
Class : Soluble
Log S (Ali) : -3.53
Solubility : 0.0637 mg/ml ; 0.000292 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.64
Solubility : 0.495 mg/ml ; 0.00227 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.82

Safety of [ 630127-51-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 630127-51-4 ]

* 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 [ 630127-51-4 ]
  • Downstream synthetic route of [ 630127-51-4 ]

[ 630127-51-4 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 1066-54-2 ]
  • [ 183677-71-6 ]
  • [ 183677-72-7 ]
  • [ 630127-51-4 ]
Reference: [1] Tetrahedron Letters, 2006, vol. 47, # 14, p. 2331 - 2335
  • 2
  • [ 16116-78-2 ]
  • [ 630127-51-4 ]
Reference: [1] Chemistry - A European Journal, 2003, vol. 9, # 19, p. 4603 - 4610
  • 3
  • [ 5122-99-6 ]
  • [ 1066-54-2 ]
  • [ 630127-51-4 ]
Reference: [1] Journal of the American Chemical Society, 2016, vol. 138, # 27, p. 8465 - 8469
  • 4
  • [ 134856-58-9 ]
  • [ 630127-51-4 ]
Reference: [1] Chemistry - A European Journal, 2003, vol. 9, # 18, p. 4430 - 4441
  • 5
  • [ 5467-74-3 ]
  • [ 630127-51-4 ]
Reference: [1] Tetrahedron Letters, 2006, vol. 47, # 14, p. 2331 - 2335
  • 6
  • [ 13675-18-8 ]
  • [ 630127-51-4 ]
Reference: [1] Chemistry - A European Journal, 2014, vol. 20, # 22, p. 6608 - 6612
  • 7
  • [ 75867-39-9 ]
  • [ 630127-51-4 ]
Reference: [1] Chemistry - A European Journal, 2014, vol. 20, # 22, p. 6608 - 6612
Same Skeleton Products
Historical Records