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. : | 1261786-73-5 | MDL No. : | MFCD18415609 |
Formula : | C8H4ClF2NOS | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | XTZJIDNYUNWXMN-UHFFFAOYSA-N |
M.W : | 235.64 | Pubchem ID : | 118999108 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.12 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 51.22 |
TPSA : | 50.36 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) : | -4.43 cm/s |
Log Po/w (iLOGP) : | 2.38 |
Log Po/w (XLOGP3) : | 4.66 |
Log Po/w (WLOGP) : | 4.39 |
Log Po/w (MLOGP) : | 2.07 |
Log Po/w (SILICOS-IT) : | 4.14 |
Consensus Log Po/w : | 3.53 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.58 |
Solubility : | 0.00619 mg/ml ; 0.0000263 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -5.44 |
Solubility : | 0.000847 mg/ml ; 0.00000359 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -3.94 |
Solubility : | 0.0271 mg/ml ; 0.000115 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 2.0 |
Synthetic accessibility : | 2.39 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 133840-96-7 ]
2-Chloro-6-(trifluoromethoxy)benzo[d]thiazole
Similarity: 0.98
[ 876500-72-0 ]
6-(Trifluoromethoxy)benzo[d]thiazole
Similarity: 0.87
[ 399-74-6 ]
2-Chloro-6-fluorobenzo[d]thiazole
Similarity: 0.69
[ 154327-27-2 ]
2-Chloro-5-fluorobenzo[d]thiazole
Similarity: 0.62
[ 182344-56-5 ]
2-Chloro-4-fluorobenzo[d]thiazole
Similarity: 0.62
[ 133840-96-7 ]
2-Chloro-6-(trifluoromethoxy)benzo[d]thiazole
Similarity: 0.98
[ 2605-14-3 ]
2-Chloro-6-methoxybenzo[d]thiazole
Similarity: 0.90
[ 1175277-80-1 ]
2-Chloro-7-methoxybenzo[d]thiazole
Similarity: 0.85
[ 3507-28-6 ]
2-Chloro-5-methoxybenzothiazole
Similarity: 0.80
[ 133840-96-7 ]
2-Chloro-6-(trifluoromethoxy)benzo[d]thiazole
Similarity: 0.98
[ 2605-14-3 ]
2-Chloro-6-methoxybenzo[d]thiazole
Similarity: 0.90
[ 876500-72-0 ]
6-(Trifluoromethoxy)benzo[d]thiazole
Similarity: 0.87
[ 1175277-80-1 ]
2-Chloro-7-methoxybenzo[d]thiazole
Similarity: 0.85
[ 3507-28-6 ]
2-Chloro-5-methoxybenzothiazole
Similarity: 0.80
[ 97963-62-7 ]
5-(Difluoromethoxy)-1H-benzo[d]imidazole-2-thiol
Similarity: 0.54