Home Cart 0 Sign in  

[ CAS No. 67424-93-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 67424-93-5
Chemical Structure| 67424-93-5
Structure of 67424-93-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 67424-93-5 ]

Related Doc. of [ 67424-93-5 ]

Alternatived Products of [ 67424-93-5 ]

Product Details of [ 67424-93-5 ]

CAS No. :67424-93-5 MDL No. :MFCD00067702
Formula : C14H15N3O4 Boiling Point : -
Linear Structure Formula :- InChI Key :WCOJOHPAKJFUDF-GFCCVEGCSA-N
M.W : 289.29 Pubchem ID :736161
Synonyms :

Calculated chemistry of [ 67424-93-5 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.21
Num. rotatable bonds : 8
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 73.52
TPSA : 104.31 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) : -7.46 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.09
Log Po/w (XLOGP3) : 0.85
Log Po/w (WLOGP) : 1.18
Log Po/w (MLOGP) : 0.17
Log Po/w (SILICOS-IT) : 1.34
Consensus Log Po/w : 0.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.03
Solubility : 2.71 mg/ml ; 0.00936 mol/l
Class : Soluble
Log S (Ali) : -2.62
Solubility : 0.688 mg/ml ; 0.00238 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.72
Solubility : 0.0552 mg/ml ; 0.000191 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.02

Safety of [ 67424-93-5 ]

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

Related Functional Groups of
[ 67424-93-5 ]

Amino Acid Derivatives

Chemical Structure| 116611-64-4

[ 116611-64-4 ]

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(1H-imidazol-4-yl)propanoic acid

Similarity: 0.90

Chemical Structure| 79950-65-5

[ 79950-65-5 ]

Boc-His(Bom)-OH

Similarity: 0.82

Chemical Structure| 63013-46-7

[ 63013-46-7 ]

(S)-2-(((Benzyloxy)carbonyl)amino)-3-(1-(2,4-dinitrophenyl)-1H-imidazol-4-yl)propanoic acid

Similarity: 0.81

Chemical Structure| 17791-52-5

[ 17791-52-5 ]

Boc-His-OH

Similarity: 0.76

Chemical Structure| 31687-58-8

[ 31687-58-8 ]

Boc-His(Boc)-OH.DCHA

Similarity: 0.76