Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 943442-96-4 | MDL No. : | MFCD11848685 |
Formula : | C12H17NO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | WQNIKIMRIXHNFF-GFCCVEGCSA-N |
M.W : | 207.27 | Pubchem ID : | 736506 |
Synonyms : |
|
Num. heavy atoms : | 15 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.5 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 62.39 |
TPSA : | 32.7 Ų |
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) : | -7.02 cm/s |
Log Po/w (iLOGP) : | 2.23 |
Log Po/w (XLOGP3) : | 0.77 |
Log Po/w (WLOGP) : | 0.35 |
Log Po/w (MLOGP) : | 0.86 |
Log Po/w (SILICOS-IT) : | 1.72 |
Consensus Log Po/w : | 1.19 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.71 |
Solubility : | 4.06 mg/ml ; 0.0196 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.04 |
Solubility : | 19.0 mg/ml ; 0.0918 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -2.59 |
Solubility : | 0.529 mg/ml ; 0.00255 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.15 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | Packing Group: | N/A |
GHS Pictogram: |
A1241520[ N/A ]
(R)-(4-Benzylmorpholin-2-yl)methanol hydrochloride
Reason: Free-salt
[ 1416445-20-9 ]
(R)-(4-Benzyl-6,6-dimethylmorpholin-2-yl)methanol
Similarity: 0.94
[ 110859-47-7 ]
(4-Benzylmorpholin-2-yl)methanamine
Similarity: 0.91
[ 1914148-61-0 ]
2-(4-Benzylmorpholin-2-yl)ethanamine dihydrochloride
Similarity: 0.88
[ 84761-04-6 ]
4-Benzyl-2,2-dimethylmorpholine
Similarity: 0.87
[ 1416445-20-9 ]
(R)-(4-Benzyl-6,6-dimethylmorpholin-2-yl)methanol
Similarity: 0.94
[ 163439-82-5 ]
(3R,4R)-1-Benzylpyrrolidine-3,4-diol
Similarity: 0.79
[ 90365-74-5 ]
(3S,4S)-1-Benzyl-3,4-pyrrolidindiol
Similarity: 0.79
[ 101376-25-4 ]
(S)-(4-Benzylmorpholin-3-yl)methanol
Similarity: 0.78
[ 1416445-20-9 ]
(R)-(4-Benzyl-6,6-dimethylmorpholin-2-yl)methanol
Similarity: 0.94
[ 1914148-61-0 ]
2-(4-Benzylmorpholin-2-yl)ethanamine dihydrochloride
Similarity: 0.88
[ 84761-04-6 ]
4-Benzyl-2,2-dimethylmorpholine
Similarity: 0.87
[ 91271-84-0 ]
(4-(Morpholinomethyl)phenyl)methanamine
Similarity: 0.86
[ 1416445-20-9 ]
(R)-(4-Benzyl-6,6-dimethylmorpholin-2-yl)methanol
Similarity: 0.94
[ 110859-47-7 ]
(4-Benzylmorpholin-2-yl)methanamine
Similarity: 0.91
[ 1914148-61-0 ]
2-(4-Benzylmorpholin-2-yl)ethanamine dihydrochloride
Similarity: 0.88
[ 84761-04-6 ]
4-Benzyl-2,2-dimethylmorpholine
Similarity: 0.87