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. : | 337535-43-0 | MDL No. : | MFCD04116325 |
Formula : | C8H8BrFO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | VYZYGWURKGSBFI-UHFFFAOYSA-N |
M.W : | 219.05 | Pubchem ID : | 2769415 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.25 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 44.96 |
TPSA : | 9.23 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.96 cm/s |
Log Po/w (iLOGP) : | 2.46 |
Log Po/w (XLOGP3) : | 2.36 |
Log Po/w (WLOGP) : | 3.0 |
Log Po/w (MLOGP) : | 3.03 |
Log Po/w (SILICOS-IT) : | 3.24 |
Consensus Log Po/w : | 2.82 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.96 |
Solubility : | 0.242 mg/ml ; 0.00111 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.19 |
Solubility : | 1.4 mg/ml ; 0.0064 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.07 |
Solubility : | 0.0187 mg/ml ; 0.0000855 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.6 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 99725-13-0 ]
(5-Bromo-2-fluorophenyl)methanol
Similarity: 0.92
[ 261723-33-5 ]
(2-Bromo-6-fluorophenyl)methanol
Similarity: 0.88
[ 934240-59-2 ]
1-((4-Bromophenoxy)methyl)-2-fluorobenzene
Similarity: 0.86
[ 439814-87-6 ]
4-Bromo-1-(dimethoxymethyl)-2-fluorobenzene
Similarity: 0.86
[ 1159186-56-7 ]
(3-Bromo-2,5-difluorophenyl)methanol
Similarity: 0.83
[ 99725-13-0 ]
(5-Bromo-2-fluorophenyl)methanol
Similarity: 0.92
[ 261723-33-5 ]
(2-Bromo-6-fluorophenyl)methanol
Similarity: 0.88
[ 934240-59-2 ]
1-((4-Bromophenoxy)methyl)-2-fluorobenzene
Similarity: 0.86
[ 439814-87-6 ]
4-Bromo-1-(dimethoxymethyl)-2-fluorobenzene
Similarity: 0.86
[ 1159186-56-7 ]
(3-Bromo-2,5-difluorophenyl)methanol
Similarity: 0.83
[ 99725-13-0 ]
(5-Bromo-2-fluorophenyl)methanol
Similarity: 0.92
[ 261723-33-5 ]
(2-Bromo-6-fluorophenyl)methanol
Similarity: 0.88
[ 934240-59-2 ]
1-((4-Bromophenoxy)methyl)-2-fluorobenzene
Similarity: 0.86
[ 439814-87-6 ]
4-Bromo-1-(dimethoxymethyl)-2-fluorobenzene
Similarity: 0.86
[ 1159186-56-7 ]
(3-Bromo-2,5-difluorophenyl)methanol
Similarity: 0.83
[ 934240-59-2 ]
1-((4-Bromophenoxy)methyl)-2-fluorobenzene
Similarity: 0.86
[ 439814-87-6 ]
4-Bromo-1-(dimethoxymethyl)-2-fluorobenzene
Similarity: 0.86
[ 1036724-54-5 ]
2-(Benzyloxy)-4-bromo-1-fluorobenzene
Similarity: 0.73
[ 944317-92-4 ]
1-Bromo-4-fluoro-5-isopropyl-2-methoxybenzene
Similarity: 0.70
[ 856767-09-4 ]
4-Bromo-2-fluoro-6-methoxybenzaldehyde
Similarity: 0.69