Home Cart 0 Sign in  

[ CAS No. 26699-00-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 26699-00-3
Chemical Structure| 26699-00-3
Structure of 26699-00-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 26699-00-3 ]

Related Doc. of [ 26699-00-3 ]

Alternatived Products of [ 26699-00-3 ]

Product Details of [ 26699-00-3 ]

CAS No. :26699-00-3 MDL No. :MFCD00043243
Formula : C26H42N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 446.62 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 26699-00-3 ]

Physicochemical Properties

Num. heavy atoms : 32
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.69
Num. rotatable bonds : 10
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 128.99
TPSA : 95.07 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.81
Log Po/w (XLOGP3) : 3.89
Log Po/w (WLOGP) : 3.14
Log Po/w (MLOGP) : -0.2
Log Po/w (SILICOS-IT) : 1.78
Consensus Log Po/w : 2.68

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.54
Solubility : 0.0129 mg/ml ; 0.0000289 mol/l
Class : Moderately soluble
Log S (Ali) : -5.58
Solubility : 0.00116 mg/ml ; 0.0000026 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.19
Solubility : 0.285 mg/ml ; 0.000638 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.41

Safety of [ 26699-00-3 ]

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
[ 26699-00-3 ]

Chemical Structure| 3160-59-6

A818090[ 3160-59-6 ]

(2S,3S)-2-(((Benzyloxy)carbonyl)amino)-3-methylpentanoic acid

Reason: Free-salt