Home Cart 0 Sign in  

[ CAS No. 139-59-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 139-59-3
Chemical Structure| 139-59-3
Structure of 139-59-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 139-59-3 ]

Related Doc. of [ 139-59-3 ]

Alternatived Products of [ 139-59-3 ]
Product Citations

Product Details of [ 139-59-3 ]

CAS No. :139-59-3 MDL No. :MFCD00007862
Formula : C12H11NO Boiling Point : No data available
Linear Structure Formula :- InChI Key :WOYZXEVUWXQVNV-UHFFFAOYSA-N
M.W : 185.22 Pubchem ID :8764
Synonyms :

Calculated chemistry of [ 139-59-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 57.36
TPSA : 35.25 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.15
Log Po/w (XLOGP3) : 2.93
Log Po/w (WLOGP) : 3.07
Log Po/w (MLOGP) : 2.68
Log Po/w (SILICOS-IT) : 2.34
Consensus Log Po/w : 2.63

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.34
Solubility : 0.0853 mg/ml ; 0.000461 mol/l
Class : Soluble
Log S (Ali) : -3.33
Solubility : 0.0863 mg/ml ; 0.000466 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.3
Solubility : 0.00937 mg/ml ; 0.0000506 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.42

Safety of [ 139-59-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H317-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 139-59-3 ]

* 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 [ 139-59-3 ]

[ 139-59-3 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 39213-20-2 ]
  • [ 139-59-3 ]
  • 3,5-dibromo-benzenesulfonic acid-(4-phenoxy-anilide) [ No CAS ]
  • 2
  • [ 28785-06-0 ]
  • [ 139-59-3 ]
  • [ 54758-81-5 ]
  • 3
  • [ 62124-43-0 ]
  • [ 139-59-3 ]
  • (4-phenoxy-phenyl)-(5-phenyl-oxazol-2-yl)-amine [ No CAS ]
  • 4
  • [ 33332-28-4 ]
  • [ 139-59-3 ]
  • [ 1366234-44-7 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;