Home Cart 0 Sign in  

[ CAS No. 15754-60-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 15754-60-6
Chemical Structure| 15754-60-6
Structure of 15754-60-6 * 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 [ 15754-60-6 ]

Related Doc. of [ 15754-60-6 ]

Alternatived Products of [ 15754-60-6 ]
Product Citations

Product Details of [ 15754-60-6 ]

CAS No. :15754-60-6 MDL No. :MFCD12192641
Formula : C7H12N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :QUSOBKIKODRYSH-UHFFFAOYSA-N
M.W : 124.18 Pubchem ID :13469815
Synonyms :

Calculated chemistry of [ 15754-60-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.57
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 37.79
TPSA : 17.82 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) : -6.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.88
Log Po/w (XLOGP3) : 1.12
Log Po/w (WLOGP) : 1.64
Log Po/w (MLOGP) : 1.08
Log Po/w (SILICOS-IT) : 0.92
Consensus Log Po/w : 1.33

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.66
Solubility : 2.71 mg/ml ; 0.0218 mol/l
Class : Very soluble
Log S (Ali) : -1.09
Solubility : 10.1 mg/ml ; 0.0817 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.58
Solubility : 3.3 mg/ml ; 0.0265 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.15

Safety of [ 15754-60-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products
Historical Records
; ;