Home Cart 0 Sign in  
X

[ CAS No. 2065232-74-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 2065232-74-6
Chemical Structure| 2065232-74-6
Chemical Structure| 2065232-74-6
Structure of 2065232-74-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 2065232-74-6 ]

Related Doc. of [ 2065232-74-6 ]

Alternatived Products of [ 2065232-74-6 ]

Product Details of [ 2065232-74-6 ]

CAS No. :2065232-74-6 MDL No. :MFCD31580046
Formula : C12H10O2 Boiling Point : -
Linear Structure Formula :- InChI Key :XPRYFYWFZXMGMV-UHFFFAOYSA-N
M.W : 186.21 Pubchem ID :139034393
Synonyms :

Calculated chemistry of [ 2065232-74-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 57.4
TPSA : 34.14 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.9
Log Po/w (XLOGP3) : 2.4
Log Po/w (WLOGP) : 2.38
Log Po/w (MLOGP) : 1.8
Log Po/w (SILICOS-IT) : 3.81
Consensus Log Po/w : 2.46

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.56
Solubility : 0.513 mg/ml ; 0.00276 mol/l
Class : Soluble
Log S (Ali) : -2.76
Solubility : 0.325 mg/ml ; 0.00174 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.19
Solubility : 0.121 mg/ml ; 0.000649 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.82

Safety of [ 2065232-74-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2065232-74-6 ]

* 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.

  • Downstream synthetic route of [ 2065232-74-6 ]

[ 2065232-74-6 ] Synthesis Path-Downstream   1~4

  • 1
  • 2,5-divinylterephthalaldehyde [ No CAS ]
  • [ 118727-34-7 ]
  • C222H168N12 [ No CAS ]
  • 2
  • [ 2065232-74-6 ]
  • [ 623-27-8 ]
  • [ 118727-34-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
94% With acetic acid In 1,3,5-trimethyl-benzene; butan-1-ol at -196.16 - 119.84℃; for 72h; Sealed tube; Schlenk technique; Inert atmosphere;
  • 3
  • [ 66-98-8 ]
  • [ 2065232-74-6 ]
  • [ 118727-34-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
90% With acetic acid In 1,3,5-trimethyl-benzene; butan-1-ol at -196.16 - 119.84℃; for 72h; Sealed tube; Schlenk technique; Inert atmosphere;
  • 4
  • [ 2065232-74-6 ]
  • [ 118727-34-7 ]
  • [ CAS Unavailable ]
YieldReaction ConditionsOperation in experiment
With glacial acetic acid In acetonitrile at 20℃; for 72h; 2.2. Preparation of COF 10 mL of acetonitrile containing 22.3 mg DVA and 28.1 mg TPB were added to the glass flask. First, the solid was completely dissolved by ultrasound. Next, CH3COOH (0.7 mL 12 M) was added to the above mixed solution. After the above mixture was homogenized by oscillation, an amount of yellow precipitate appeared in the mixed solution.The mixed solution was carried out at room temperature for 3days. After the reaction was completed, the yellow precipitates were separated by centrifugation. Then, the yellow precipitates were washed 3 times with tetrahydrofuran (THF) and ethanol, respectively. Finally, the yellow precipitates were dried in vacuum condition at 40 °C for overnight.
Recommend Products
Same Skeleton Products
Historical Records