Home Cart 0 Sign in  
X

[ CAS No. 20595-49-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 20595-49-7
Chemical Structure| 20595-49-7
Chemical Structure| 20595-49-7
Structure of 20595-49-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 20595-49-7 ]

Related Doc. of [ 20595-49-7 ]

Alternatived Products of [ 20595-49-7 ]

Product Details of [ 20595-49-7 ]

CAS No. :20595-49-7 MDL No. :MFCD00004374
Formula : C9H6Cl2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 217.05 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 20595-49-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 53.13
TPSA : 37.3 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) : -5.4 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.77
Log Po/w (XLOGP3) : 3.13
Log Po/w (WLOGP) : 2.98
Log Po/w (MLOGP) : 3.03
Log Po/w (SILICOS-IT) : 2.99
Consensus Log Po/w : 2.78

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.37
Solubility : 0.0932 mg/ml ; 0.000429 mol/l
Class : Soluble
Log S (Ali) : -3.58
Solubility : 0.0568 mg/ml ; 0.000262 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.1
Solubility : 0.172 mg/ml ; 0.000794 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.17

Safety of [ 20595-49-7 ]

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 [ 20595-49-7 ]

* 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.

  • Downstream synthetic route of [ 20595-49-7 ]

[ 20595-49-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 20595-49-7 ]
  • [ 51656-68-9 ]
YieldReaction ConditionsOperation in experiment
(reduction);
Recommend Products
Same Skeleton Products
Historical Records