Home Cart 0 Sign in  

[ CAS No. 201217-86-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 201217-86-9
Chemical Structure| 201217-86-9
Structure of 201217-86-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 201217-86-9 ]

Related Doc. of [ 201217-86-9 ]

Alternatived Products of [ 201217-86-9 ]

Product Details of [ 201217-86-9 ]

CAS No. :201217-86-9 MDL No. :MFCD00236876
Formula : C13H25NO5 Boiling Point : -
Linear Structure Formula :- InChI Key :LKRXXARJBFBMCE-DTWKUNHWSA-N
M.W : 275.34 Pubchem ID :7019686
Synonyms :

Calculated chemistry of [ 201217-86-9 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.85
Num. rotatable bonds : 8
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 72.01
TPSA : 84.86 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) : -6.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.66
Log Po/w (XLOGP3) : 1.83
Log Po/w (WLOGP) : 2.17
Log Po/w (MLOGP) : 1.16
Log Po/w (SILICOS-IT) : 1.02
Consensus Log Po/w : 1.77

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.17
Solubility : 1.85 mg/ml ; 0.00673 mol/l
Class : Soluble
Log S (Ali) : -3.23
Solubility : 0.161 mg/ml ; 0.000586 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.64
Solubility : 6.31 mg/ml ; 0.0229 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.65

Safety of [ 201217-86-9 ]

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

Related Functional Groups of
[ 201217-86-9 ]

Amino Acid Derivatives

Chemical Structure| 48068-25-3

[ 48068-25-3 ]

(2S,3R)-2-((tert-Butoxycarbonyl)amino)-3-methoxybutanoic acid

Similarity: 0.98

Chemical Structure| 79479-07-5

[ 79479-07-5 ]

(2S,3R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxybutanoate

Similarity: 0.97

Chemical Structure| 2592-18-9

[ 2592-18-9 ]

(2S,3R)-2-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid

Similarity: 0.95

Chemical Structure| 55674-67-4

[ 55674-67-4 ]

(2R,3S)-2-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid

Similarity: 0.95

Chemical Structure| 23082-30-6

[ 23082-30-6 ]

(2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-hydroxybutanoic acid

Similarity: 0.95