Home Cart 0 Sign in  
X

[ CAS No. 67058-74-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 67058-74-6
Chemical Structure| 67058-74-6
Chemical Structure| 67058-74-6
Structure of 67058-74-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 67058-74-6 ]

Related Doc. of [ 67058-74-6 ]

Alternatived Products of [ 67058-74-6 ]

Product Details of [ 67058-74-6 ]

CAS No. :67058-74-6 MDL No. :MFCD11845479
Formula : C8H6N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :UZICFJZCPFIGIJ-UHFFFAOYSA-N
M.W : 162.15 Pubchem ID :12410853
Synonyms :

Calculated chemistry of [ 67058-74-6 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 43.05
TPSA : 65.98 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) : -6.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.62
Log Po/w (XLOGP3) : 0.51
Log Po/w (WLOGP) : 1.26
Log Po/w (MLOGP) : -0.09
Log Po/w (SILICOS-IT) : 1.38
Consensus Log Po/w : 0.74

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.85

Water Solubility

Log S (ESOL) : -1.66
Solubility : 3.58 mg/ml ; 0.0221 mol/l
Class : Very soluble
Log S (Ali) : -1.47
Solubility : 5.54 mg/ml ; 0.0342 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.27
Solubility : 0.863 mg/ml ; 0.00532 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.36

Safety of [ 67058-74-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 67058-74-6 ]

* 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.

  • Upstream synthesis route of [ 67058-74-6 ]

[ 67058-74-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 67058-74-6 ]
  • [ 271-29-4 ]
Reference: [1] Justus Liebigs Annalen der Chemie, 1956, vol. 599, p. 233,235
Same Skeleton Products
Historical Records