Alternatived Products of [ 108412-04-0 ]
Product Details of [ 108412-04-0 ]
CAS No. : | 108412-04-0 |
MDL No. : | MFCD06797041 |
Formula : |
C5H10ClNO2
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | DIDZZOWASZMNQW-PGMHMLKASA-N |
M.W : |
151.59
|
Pubchem ID : | 44630066 |
Synonyms : |
|
Chemical Name : | (R)-2-Aminopent-4-enoic acid hydrochloride |
Calculated chemistry of [ 108412-04-0 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
9 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.4 |
Num. rotatable bonds : |
3 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
2.0 |
Molar Refractivity : |
37.12 |
TPSA : |
63.32 ?2 |
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) : |
-8.26 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
-1.46 |
Log Po/w (WLOGP) : |
0.78 |
Log Po/w (MLOGP) : |
-1.93 |
Log Po/w (SILICOS-IT) : |
-0.38 |
Consensus Log Po/w : |
-0.6 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
0.34 |
Solubility : |
330.0 mg/ml ; 2.18 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
0.63 |
Solubility : |
653.0 mg/ml ; 4.31 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
0.26 |
Solubility : |
276.0 mg/ml ; 1.82 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
1.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
1.96 |
Safety of [ 108412-04-0 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P305+P351+P338 |
UN#: | N/A |
Hazard Statements: | H315-H319 |
Packing Group: | N/A |
GHS Pictogram: |
|