Home Cart Sign in  

[ CAS No. 59229-09-3 ] 2,4,6-Trimethylpyridinium p-Toluenesulfonate

Cat. No.: A538472
Chemical Structure| 59229-09-3
Chemical Structure| 59229-09-3
Structure of 59229-09-3 * Storage: Inert atmosphere,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 5g $16.00 in stock in stock Login
98% 10g $25.00 in stock in stock Login
98% 25g $53.00 in stock in stock Login
98% 100g $175.00 in stock in stock Login

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

Cart Add to My Favorites Bulk Inquiry Add To Cart

Search after Editing

* Storage: Inert atmosphere,Room Temperature

* Shipping: Normal

Quality Control of [ 59229-09-3 ]

Related Doc. of [ 59229-09-3 ]

Alternatived Products of [ 59229-09-3 ]
Product Citations

Product Details of [ 59229-09-3 ]

CAS No. :59229-09-3 MDL No. :MFCD00012810
Formula : C15H19NO3S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 293.38 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 59229-09-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.27
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 80.4
TPSA : 75.64 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.92 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.46
Log Po/w (XLOGP3) : 3.05
Log Po/w (WLOGP) : 4.33
Log Po/w (MLOGP) : 2.28
Log Po/w (SILICOS-IT) : 2.73
Consensus Log Po/w : 2.97

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.96
Solubility : 0.0323 mg/ml ; 0.00011 mol/l
Class : Soluble
Log S (Ali) : -4.3
Solubility : 0.0145 mg/ml ; 0.0000496 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.14
Solubility : 0.214 mg/ml ; 0.000728 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.34

Safety of [ 59229-09-3 ]

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

Technical Information

Historical Records
; ;