Home Cart 0 Sign in  

[ CAS No. 59697-06-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 59697-06-2
Chemical Structure| 59697-06-2
Structure of 59697-06-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 59697-06-2 ]

Related Doc. of [ 59697-06-2 ]

Alternatived Products of [ 59697-06-2 ]

Product Details of [ 59697-06-2 ]

CAS No. :59697-06-2 MDL No. :MFCD23160727
Formula : C13H24N4O3S Boiling Point : -
Linear Structure Formula :- InChI Key :MAMSPDKEMJALRZ-UHFFFAOYSA-N
M.W : 316.42 Pubchem ID :12296653
Synonyms :

Calculated chemistry of [ 59697-06-2 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.85
Num. rotatable bonds : 7
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 84.97
TPSA : 107.98 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
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) : 2.88
Log Po/w (XLOGP3) : 1.83
Log Po/w (WLOGP) : 0.12
Log Po/w (MLOGP) : -0.36
Log Po/w (SILICOS-IT) : 1.77
Consensus Log Po/w : 1.25

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.67
Solubility : 0.678 mg/ml ; 0.00214 mol/l
Class : Soluble
Log S (Ali) : -3.72
Solubility : 0.0606 mg/ml ; 0.000192 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.38
Solubility : 1.33 mg/ml ; 0.00422 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 4.22

Safety of [ 59697-06-2 ]

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 [ 59697-06-2 ]

* 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 [ 59697-06-2 ]

[ 59697-06-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 30165-96-9 ]
  • [ 194861-99-9 ]
  • [ 59697-06-2 ]
  • [ 26839-75-8 ]
  • 2
  • [ 30315-46-9 ]
  • [ 59697-06-2 ]
Same Skeleton Products
Historical Records