Home Cart 0 Sign in  

[ CAS No. 92921-24-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 92921-24-9
Chemical Structure| 92921-24-9
Structure of 92921-24-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 92921-24-9 ]

Related Doc. of [ 92921-24-9 ]

Alternatived Products of [ 92921-24-9 ]

Product Details of [ 92921-24-9 ]

CAS No. :92921-24-9 MDL No. :MFCD00054978
Formula : C16H17N2NaO9S Boiling Point : -
Linear Structure Formula :- InChI Key :VUFNRPJNRFOTGK-UHFFFAOYSA-M
M.W : 436.37 Pubchem ID :4618794
Synonyms :

Calculated chemistry of [ 92921-24-9 ]

Physicochemical Properties

Num. heavy atoms : 29
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.56
Num. rotatable bonds : 6
Num. H-bond acceptors : 9.0
Num. H-bond donors : 0.0
Molar Refractivity : 96.6
TPSA : 166.64 Ų

Pharmacokinetics

GI absorption : Low
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) : -9.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : -12.13
Log Po/w (XLOGP3) : -0.52
Log Po/w (WLOGP) : -0.83
Log Po/w (MLOGP) : -0.03
Log Po/w (SILICOS-IT) : -1.58
Consensus Log Po/w : -3.02

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.82
Solubility : 6.58 mg/ml ; 0.0151 mol/l
Class : Very soluble
Log S (Ali) : -2.51
Solubility : 1.35 mg/ml ; 0.00308 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.19
Solubility : 283.0 mg/ml ; 0.649 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.74

Safety of [ 92921-24-9 ]

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:
Same Skeleton Products
Historical Records