Home Cart 0 Sign in  
X

[ CAS No. 933445-54-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 933445-54-6
Chemical Structure| 933445-54-6
Chemical Structure| 933445-54-6
Structure of 933445-54-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 933445-54-6 ]

Related Doc. of [ 933445-54-6 ]

Alternatived Products of [ 933445-54-6 ]

Product Details of [ 933445-54-6 ]

CAS No. :933445-54-6 MDL No. :MFCD15478845
Formula : C7H13NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :CKTUXQBZPWBFDX-WDSKDSINSA-N
M.W : 143.18 Pubchem ID :7005077
Synonyms :

Calculated chemistry of [ 933445-54-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.86
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 38.13
TPSA : 63.32 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) : -8.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.11
Log Po/w (XLOGP3) : -2.19
Log Po/w (WLOGP) : 0.59
Log Po/w (MLOGP) : 0.35
Log Po/w (SILICOS-IT) : 0.18
Consensus Log Po/w : 0.01

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.72
Solubility : 748.0 mg/ml ; 5.22 mol/l
Class : Highly soluble
Log S (Ali) : 1.39
Solubility : 3530.0 mg/ml ; 24.6 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -0.08
Solubility : 120.0 mg/ml ; 0.839 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.16

Safety of [ 933445-54-6 ]

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
Historical Records

Similar Product of
[ 933445-54-6 ]

Chemical Structure| 933445-51-3

A107797[ 933445-51-3 ]

(1R,3R)-3-Aminocyclohexanecarboxylic acid

Reason: Optical isomers

Chemical Structure|

A328084[ ]

(1S,3S)-3-Aminocyclohexane-1-carboxylic acid hydrochloride

Reason: Derivatives