Home Cart 0 Sign in  

[ CAS No. 131419-12-0 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 131419-12-0
Chemical Structure| 131419-12-0
Structure of 131419-12-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Quality Control of [ 131419-12-0 ]

Related Doc. of [ 131419-12-0 ]

Alternatived Products of [ 131419-12-0 ]

Product Details of [ 131419-12-0 ]

CAS No. :131419-12-0 MDL No. :N/A
Formula : C12H9NaO2S Boiling Point : -
Linear Structure Formula :- InChI Key :ZCOLEKULGWLSNN-UHFFFAOYSA-M
M.W :240.25 g/mol Pubchem ID :23671742
Synonyms :

Calculated chemistry of [ 131419-12-0 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 59.2
TPSA : 59.34 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.82 cm/s

Lipophilicity

Log Po/w (iLOGP) : -11.68
Log Po/w (XLOGP3) : 2.74
Log Po/w (WLOGP) : 3.46
Log Po/w (MLOGP) : 2.88
Log Po/w (SILICOS-IT) : 1.78
Consensus Log Po/w : -0.17

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.48
Solubility : 0.0798 mg/ml ; 0.000332 mol/l
Class : Soluble
Log S (Ali) : -3.64
Solubility : 0.055 mg/ml ; 0.000229 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.36
Solubility : 0.0104 mg/ml ; 0.0000433 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.59

Safety of [ 131419-12-0 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
Historical Records