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[ CAS No. 6974-32-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6974-32-9
Chemical Structure| 6974-32-9
Structure of 6974-32-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 6974-32-9 ]

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Product Details of [ 6974-32-9 ]

CAS No. :6974-32-9 MDL No. :MFCD00005357
Formula : C28H24O9 Boiling Point : -
Linear Structure Formula :C5H6O(OCOCH3)(OCOC6H5)3 InChI Key :GCZABPLTDYVJMP-CBUXHAPBSA-N
M.W : 504.48 Pubchem ID :81455
Synonyms :
Chemical Name :(2S,3R,4R,5R)-2-Acetoxy-5-((benzoyloxy)methyl)tetrahydrofuran-3,4-diyl dibenzoate

Calculated chemistry of [ 6974-32-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 37
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.21
Num. rotatable bonds : 12
Num. H-bond acceptors : 9.0
Num. H-bond donors : 0.0
Molar Refractivity : 128.42
TPSA : 114.43 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.6
Log Po/w (XLOGP3) : 5.65
Log Po/w (WLOGP) : 3.58
Log Po/w (MLOGP) : 3.34
Log Po/w (SILICOS-IT) : 3.42
Consensus Log Po/w : 3.92

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.1
Solubility : 0.000405 mg/ml ; 0.000000803 mol/l
Class : Poorly soluble
Log S (Ali) : -7.82
Solubility : 0.00000768 mg/ml ; 0.0000000152 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -6.72
Solubility : 0.0000952 mg/ml ; 0.000000189 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.78

Safety of [ 6974-32-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 6974-32-9 ]

* 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.

  • Downstream synthetic route of [ 6974-32-9 ]

[ 6974-32-9 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 6974-32-9 ]
  • [ 555-30-6 ]
  • [ 79439-78-4 ]
  • [ 6988-74-5 ]
  • [ 14215-97-5 ]
  • 2
  • [ 6974-32-9 ]
  • [ 69205-79-4 ]
  • 2-amino-7-(2',3',5'-tri-O-benzoyl-D-ribofuranosyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile [ No CAS ]
  • 3
  • [ 6974-32-9 ]
  • [ 15965-57-8 ]
  • 2-chloro-4-methyl-1-[β-D-erythro-pentofuranosyl]-1H-benzimidazole [ No CAS ]
  • 4
  • [ 6974-32-9 ]
  • [ 272-97-9 ]
  • [ 26884-45-7 ]
  • 5
  • [ 6974-32-9 ]
  • [ 26956-43-4 ]
  • [ 444898-86-6 ]
  • 6
  • [ 6974-32-9 ]
  • [ 3690-10-6 ]
  • 7
  • [ 6974-32-9 ]
  • [ 208580-23-8 ]
  • [ 224175-69-3 ]
  • 8
  • [ 6974-32-9 ]
  • [ 149765-15-1 ]
  • [ 115479-42-0 ]
  • 9
  • [ 6974-32-9 ]
  • [ 149765-15-1 ]
  • 4-chloro-2-(N2-pivaloyl)amino-7-[(2,3,5-tri-O-benzoyl)-β-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine [ No CAS ]
  • 11
  • [ 6974-32-9 ]
  • [ 1000340-39-5 ]
  • 3-bromo-4-chloro-N1-(2’,3’,5’-tri-O-benzoyl-β-D-ribofuranosyl)pyrrolo[2,3-b]pyridine [ No CAS ]
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[ 6974-32-9 ]

Chemical Structure| 54447-56-2

A1669910[ 54447-56-2 ]

(2S,3R,4R,5R)-2-Acetoxy-5-((benzoyloxy)methyl-13C)tetrahydrofuran-3,4-diyl dibenzoate

Reason: Stable Isotope

; ;