Home Cart 0 Sign in  

[ CAS No. 2011-49-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2011-49-6
Chemical Structure| 2011-49-6
Structure of 2011-49-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 2011-49-6 ]

Related Doc. of [ 2011-49-6 ]

Alternatived Products of [ 2011-49-6 ]

Product Details of [ 2011-49-6 ]

CAS No. :2011-49-6 MDL No. :MFCD12031973
Formula : C9H15ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :QPFIOECKBVGPTJ-UHFFFAOYSA-N
M.W : 218.68 Pubchem ID :131875673
Synonyms :

Calculated chemistry of [ 2011-49-6 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 56.87
TPSA : 56.51 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) : -6.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.29
Log Po/w (WLOGP) : 1.32
Log Po/w (MLOGP) : 1.18
Log Po/w (SILICOS-IT) : 0.67
Consensus Log Po/w : 0.89

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.06
Solubility : 1.9 mg/ml ; 0.00868 mol/l
Class : Soluble
Log S (Ali) : -2.08
Solubility : 1.83 mg/ml ; 0.00838 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.75
Solubility : 0.389 mg/ml ; 0.00178 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.66

Safety of [ 2011-49-6 ]

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

Similar Product of
[ 2011-49-6 ]

Chemical Structure| 2011-49-6

A1351229[ 2011-49-6 ]

(2,5-Dimethoxybenzyl)hydrazine hydrochloride

Reason: Free-salt