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. : | 946598-40-9 | MDL No. : | MFCD11040390 |
Formula : | C11H12FNO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | NEWHCWSPQLPAIR-UHFFFAOYSA-N |
M.W : | 225.22 | Pubchem ID : | 53393439 |
Synonyms : |
|
Num. heavy atoms : | 16 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.36 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 59.09 |
TPSA : | 49.77 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.45 cm/s |
Log Po/w (iLOGP) : | 1.74 |
Log Po/w (XLOGP3) : | 1.72 |
Log Po/w (WLOGP) : | 1.4 |
Log Po/w (MLOGP) : | 1.4 |
Log Po/w (SILICOS-IT) : | 1.72 |
Consensus Log Po/w : | 1.6 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -2.47 |
Solubility : | 0.771 mg/ml ; 0.00342 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.38 |
Solubility : | 0.936 mg/ml ; 0.00416 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.24 |
Solubility : | 1.28 mg/ml ; 0.0057 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.7 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P264-P270-P301+P312-P330 | UN#: | N/A |
Hazard Statements: | H302-H315-H320-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 1272756-24-7 ]
Benzyl 2-fluoro-4-morpholinobenzoate
Similarity: 0.95
[ 554448-63-4 ]
2-Fluoro-4-morpholinobenzaldehyde
Similarity: 0.90
[ 736991-93-8 ]
2-Fluoro-6-morpholinobenzaldehyde
Similarity: 0.86
[ 495405-04-4 ]
Methyl 3-fluoro-4-morpholinobenzoate
Similarity: 0.85
[ 1197193-14-8 ]
2-Fluoro-4-pyrrolidinobenzoic Acid
Similarity: 0.84
[ 1272756-24-7 ]
Benzyl 2-fluoro-4-morpholinobenzoate
Similarity: 0.95
[ 554448-63-4 ]
2-Fluoro-4-morpholinobenzaldehyde
Similarity: 0.90
[ 736991-93-8 ]
2-Fluoro-6-morpholinobenzaldehyde
Similarity: 0.86
[ 495405-04-4 ]
Methyl 3-fluoro-4-morpholinobenzoate
Similarity: 0.85
[ 1197193-14-8 ]
2-Fluoro-4-pyrrolidinobenzoic Acid
Similarity: 0.84
[ 1197193-14-8 ]
2-Fluoro-4-pyrrolidinobenzoic Acid
Similarity: 0.84
[ 1033778-63-0 ]
2-Amino-4-fluoro-5-morpholinobenzoic acid
Similarity: 0.82
[ 1096880-75-9 ]
5-Fluoro-2-morpholinobenzoic acid
Similarity: 0.82
[ 1272756-24-7 ]
Benzyl 2-fluoro-4-morpholinobenzoate
Similarity: 0.95
[ 554448-63-4 ]
2-Fluoro-4-morpholinobenzaldehyde
Similarity: 0.90
[ 736991-93-8 ]
2-Fluoro-6-morpholinobenzaldehyde
Similarity: 0.86
[ 495405-04-4 ]
Methyl 3-fluoro-4-morpholinobenzoate
Similarity: 0.85
[ 1033778-63-0 ]
2-Amino-4-fluoro-5-morpholinobenzoic acid
Similarity: 0.82