Alternatived Products of [ 2899-36-7 ]
Product Details of [ 2899-36-7 ]
CAS No. : | 2899-36-7 |
MDL No. : | MFCD00012508 |
Formula : |
C7H16ClNO2S
|
Boiling Point : |
- |
Linear Structure Formula : | - |
InChI Key : | KPWCQEUBJAIORR-RGMNGODLSA-N |
M.W : |
213.73
|
Pubchem ID : | 3083785 |
Synonyms : |
|
Chemical Name : | Ethyl L-methionate hydrochloride |
Calculated chemistry of [ 2899-36-7 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
12 |
Num. arom. heavy atoms : |
0 |
Fraction Csp3 : |
0.86 |
Num. rotatable bonds : |
6 |
Num. H-bond acceptors : |
3.0 |
Num. H-bond donors : |
1.0 |
Molar Refractivity : |
54.31 |
TPSA : |
77.62 ?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) : |
-6.6 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
0.0 |
Log Po/w (XLOGP3) : |
1.42 |
Log Po/w (WLOGP) : |
1.43 |
Log Po/w (MLOGP) : |
1.08 |
Log Po/w (SILICOS-IT) : |
0.77 |
Consensus Log Po/w : |
0.94 |
Druglikeness
Lipinski : |
0.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
0.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-1.66 |
Solubility : |
4.64 mg/ml ; 0.0217 mol/l |
Class : |
Very soluble |
Log S (Ali) : |
-2.65 |
Solubility : |
0.473 mg/ml ; 0.00221 mol/l |
Class : |
Soluble |
Log S (SILICOS-IT) : |
-1.36 |
Solubility : |
9.42 mg/ml ; 0.0441 mol/l |
Class : |
Soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
0.0 alert |
Leadlikeness : |
1.0 |
Synthetic accessibility : |
2.79 |