Alternatived Products of [ 7200-25-1 ]
Product Details of [ 7200-25-1 ]
CAS No. : | 7200-25-1 |
MDL No. : | MFCD00063117 |
Formula : |
C6H14N4O2
|
Boiling Point : |
- |
Linear Structure Formula : | NH2C(NH)NHCH2CH2CH2CH(NH2)COOH |
InChI Key : | - |
M.W : |
174.20
|
Pubchem ID : | - |
Synonyms : |
|
Chemical Name : | DL-Arginine |
Calculated chemistry of [ 7200-25-1 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
12 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.67 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
4.0 |
Num. H-bond donors : |
5.0 |
Molar Refractivity : |
44.53 |
TPSA : |
125.22 ?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) : |
-10.34 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
-0.31 |
Log Po/w (XLOGP3) : |
-4.2 |
Log Po/w (WLOGP) : |
-1.34 |
Log Po/w (MLOGP) : |
-3.21 |
Log Po/w (SILICOS-IT) : |
-1.61 |
Consensus Log Po/w : |
-2.13 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
2.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
2.12 |
Solubility : |
23100.0 mg/ml ; 132.0 mol/l |
Class : |
Highly soluble |
Log S (Ali) : |
2.18 |
Solubility : |
26200.0 mg/ml ; 150.0 mol/l |
Class : |
Highly soluble |
Log S (SILICOS-IT) : |
0.06 |
Solubility : |
200.0 mg/ml ; 1.15 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.16 |
Safety of [ 7200-25-1 ]
Signal Word: | Warning |
Class: | N/A |
Precautionary Statements: | P305+P351+P338 |
UN#: | N/A |
Hazard Statements: | H319 |
Packing Group: | N/A |
GHS Pictogram: |
|
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