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. : | 305801-12-1 | MDL No. : | MFCD02663348 |
Formula : | C12H10FNO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | XOTBQGILYQQOKD-UHFFFAOYSA-N |
M.W : | 203.21 | Pubchem ID : | 5126073 |
Synonyms : |
|
Num. heavy atoms : | 15 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 57.32 |
TPSA : | 35.25 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.27 cm/s |
Log Po/w (iLOGP) : | 2.21 |
Log Po/w (XLOGP3) : | 3.19 |
Log Po/w (WLOGP) : | 3.63 |
Log Po/w (MLOGP) : | 3.09 |
Log Po/w (SILICOS-IT) : | 2.73 |
Consensus Log Po/w : | 2.97 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.57 |
Solubility : | 0.0547 mg/ml ; 0.000269 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.6 |
Solubility : | 0.0508 mg/ml ; 0.00025 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.58 |
Solubility : | 0.00535 mg/ml ; 0.0000263 mol/l |
Class : | Moderately soluble |
PAINS : | 1.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.67 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
[ 946699-01-0 ]
3-Fluoro-4-(2-fluorophenoxy)aniline
Similarity: 0.97
[ 937597-91-6 ]
3-Fluoro-4-(4-fluorophenoxy)aniline
Similarity: 0.97
[ 87294-20-0 ]
3-Fluoro-4-(4-methoxyphenoxy)aniline
Similarity: 0.97
[ 946699-01-0 ]
3-Fluoro-4-(2-fluorophenoxy)aniline
Similarity: 0.97
[ 937597-91-6 ]
3-Fluoro-4-(4-fluorophenoxy)aniline
Similarity: 0.97
[ 87294-20-0 ]
3-Fluoro-4-(4-methoxyphenoxy)aniline
Similarity: 0.97
[ 946699-01-0 ]
3-Fluoro-4-(2-fluorophenoxy)aniline
Similarity: 0.97
[ 937597-91-6 ]
3-Fluoro-4-(4-fluorophenoxy)aniline
Similarity: 0.97
[ 87294-20-0 ]
3-Fluoro-4-(4-methoxyphenoxy)aniline
Similarity: 0.97
[ 946699-01-0 ]
3-Fluoro-4-(2-fluorophenoxy)aniline
Similarity: 0.97
[ 937597-91-6 ]
3-Fluoro-4-(4-fluorophenoxy)aniline
Similarity: 0.97
[ 87294-20-0 ]
3-Fluoro-4-(4-methoxyphenoxy)aniline
Similarity: 0.97