Home Cart 0 Sign in  

[ CAS No. 119062-05-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 119062-05-4
Chemical Structure| 119062-05-4
Structure of 119062-05-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 119062-05-4 ]

Related Doc. of [ 119062-05-4 ]

Alternatived Products of [ 119062-05-4 ]

Product Details of [ 119062-05-4 ]

CAS No. :119062-05-4 MDL No. :MFCD00237654
Formula : C19H17NO6 Boiling Point : -
Linear Structure Formula :- InChI Key :KSDTXRUIZMTBNV-INIZCTEOSA-N
M.W : 355.34 Pubchem ID :7019016
Synonyms :
(((9H-Fluoren-9-yl)methoxy)carbonyl)-L-aspartic acid

Calculated chemistry of [ 119062-05-4 ]

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.21
Num. rotatable bonds : 8
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 91.75
TPSA : 112.93 Ų

Pharmacokinetics

GI absorption : High
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) : -6.91 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.61
Log Po/w (XLOGP3) : 2.19
Log Po/w (WLOGP) : 2.45
Log Po/w (MLOGP) : 1.68
Log Po/w (SILICOS-IT) : 1.88
Consensus Log Po/w : 1.96

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.24
Solubility : 0.206 mg/ml ; 0.00058 mol/l
Class : Soluble
Log S (Ali) : -4.2
Solubility : 0.0227 mg/ml ; 0.0000638 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.26
Solubility : 0.0196 mg/ml ; 0.0000551 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.53

Safety of [ 119062-05-4 ]

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:
Same Skeleton Products
Historical Records

Similar Product of
[ 119062-05-4 ]

Chemical Structure| 287484-33-7

A987328[ 287484-33-7 ]

Fmoc-Asp-OH--15N

Reason: Stable Isotope

Related Functional Groups of
[ 119062-05-4 ]

Amino Acid

Chemical Structure| 108321-39-7

[ 108321-39-7 ]

Fmoc-D-Asparagine

Similarity: 0.94

Chemical Structure| 114360-54-2

[ 114360-54-2 ]

Fmoc-D-Leu-OH

Similarity: 0.93

Chemical Structure| 35661-60-0

[ 35661-60-0 ]

Fmoc-Leu-OH

Similarity: 0.93