Home Cart 0 Sign in  

[ CAS No. 6402-23-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6402-23-9
Chemical Structure| 6402-23-9
Structure of 6402-23-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 6402-23-9 ]

Related Doc. of [ 6402-23-9 ]

Alternatived Products of [ 6402-23-9 ]

Product Details of [ 6402-23-9 ]

CAS No. :6402-23-9 MDL No. :MFCD00149646
Formula : C18H23N3O5 Boiling Point : -
Linear Structure Formula :- InChI Key :NYEPHMYJRNWPLA-UHFFFAOYSA-N
M.W : 361.39 Pubchem ID :165457
Synonyms :
Ethacridine lactate monohydrate;Acrinol monohydrat;Ethodin;Rivanol monohydrate

Calculated chemistry of [ 6402-23-9 ]

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 14
Fraction Csp3 : 0.22
Num. rotatable bonds : 3
Num. H-bond acceptors : 6.0
Num. H-bond donors : 5.0
Molar Refractivity : 101.87
TPSA : 140.92 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) : -7.62 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.52
Log Po/w (XLOGP3) : 1.25
Log Po/w (WLOGP) : 2.35
Log Po/w (MLOGP) : -0.03
Log Po/w (SILICOS-IT) : 2.37
Consensus Log Po/w : 1.69

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.07
Solubility : 0.309 mg/ml ; 0.000854 mol/l
Class : Soluble
Log S (Ali) : -3.81
Solubility : 0.0563 mg/ml ; 0.000156 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.2
Solubility : 0.0023 mg/ml ; 0.00000637 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.87

Safety of [ 6402-23-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H312-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records