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. : | 26888-72-2 | MDL No. : | MFCD01935458 |
Formula : | C6HF4N3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DQGMLVOXCVGHIM-UHFFFAOYSA-N |
M.W : | 191.09 | Pubchem ID : | 6409949 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 6.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 33.72 |
TPSA : | 41.57 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) : | -6.4 cm/s |
Log Po/w (iLOGP) : | 0.81 |
Log Po/w (XLOGP3) : | 1.5 |
Log Po/w (WLOGP) : | 3.2 |
Log Po/w (MLOGP) : | 2.73 |
Log Po/w (SILICOS-IT) : | 3.25 |
Consensus Log Po/w : | 2.3 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.48 |
Solubility : | 0.63 mg/ml ; 0.0033 mol/l |
Class : | Soluble |
Log S (Ali) : | -1.98 |
Solubility : | 2.0 mg/ml ; 0.0105 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -3.66 |
Solubility : | 0.042 mg/ml ; 0.00022 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 2.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.11 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-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.
[ 1242336-69-1 ]
6-Bromo-5-fluoro-1H-benzo[d][1,2,3]triazole
Similarity: 0.71
[ 168966-54-9 ]
3,4,5-Trifluorobenzene-1,2-diamine
Similarity: 0.62
[ 875664-54-3 ]
(3,4-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.61
[ 502496-27-7 ]
(3,5-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.59
[ 60481-38-1 ]
(2,3-Difluorophenyl)hydrazine hydrochloride
Similarity: 0.58
[ 1242336-69-1 ]
6-Bromo-5-fluoro-1H-benzo[d][1,2,3]triazole
Similarity: 0.71
[ 1614-12-6 ]
1H-Benzo[d][1,2,3]triazol-1-amine
Similarity: 0.66
[ 3663-24-9 ]
5-Butyl-1H-benzo[d][1,2,3]triazole
Similarity: 0.61
[ 2690-84-8 ]
2-(1H-Benzo[d][1,2,3]triazol-1-yl)ethanamine hydrochloride
Similarity: 0.58
[ 94-97-3 ]
5-Chloro-1H-benzo[d][1,2,3]triazole
Similarity: 0.58