Home Cart 0 Sign in  

[ CAS No. 88738-78-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 88738-78-7
Chemical Structure| 88738-78-7
Structure of 88738-78-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 88738-78-7 ]

Related Doc. of [ 88738-78-7 ]

Alternatived Products of [ 88738-78-7 ]

Product Details of [ 88738-78-7 ]

CAS No. :88738-78-7 MDL No. :MFCD00009901
Formula : C7H9F6O5P Boiling Point : -
Linear Structure Formula :- InChI Key :PVSJXEDBEXYLML-UHFFFAOYSA-N
M.W : 318.11 Pubchem ID :184894
Synonyms :

Calculated chemistry of [ 88738-78-7 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.86
Num. rotatable bonds : 9
Num. H-bond acceptors : 11.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.26
TPSA : 71.64 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.09 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.15
Log Po/w (XLOGP3) : 1.62
Log Po/w (WLOGP) : 5.03
Log Po/w (MLOGP) : 1.13
Log Po/w (SILICOS-IT) : 1.8
Consensus Log Po/w : 2.35

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.24
Solubility : 1.84 mg/ml ; 0.00577 mol/l
Class : Soluble
Log S (Ali) : -2.74
Solubility : 0.583 mg/ml ; 0.00183 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.42
Solubility : 1.2 mg/ml ; 0.00378 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.45

Safety of [ 88738-78-7 ]

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 [ 88738-78-7 ]

* 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 [ 88738-78-7 ]
  • Downstream synthetic route of [ 88738-78-7 ]

[ 88738-78-7 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 67-56-1 ]
  • [ 88738-78-7 ]
  • [ 5927-18-4 ]
  • [ 681123-85-3 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 2005, vol. 53, # 1, p. 131 - 134
  • 2
  • [ 30361-28-5 ]
  • [ 88738-78-7 ]
  • [ 51544-64-0 ]
Reference: [1] Tetrahedron, 2005, vol. 61, # 15, p. 3651 - 3657
  • 3
  • [ 88738-78-7 ]
  • [ 33819-10-2 ]
  • [ 51544-64-0 ]
  • [ 77761-48-9 ]
Reference: [1] Tetrahedron, 2005, vol. 61, # 15, p. 3651 - 3657
Same Skeleton Products
Historical Records