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. : | 274671-77-1 | MDL No. : | MFCD18642366 |
Formula : | C7H5BrCl2O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DWHSTIUZSWZGGG-UHFFFAOYSA-N |
M.W : | 255.92 | Pubchem ID : | 53782548 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.14 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 50.29 |
TPSA : | 20.23 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) : | -5.75 cm/s |
Log Po/w (iLOGP) : | 2.26 |
Log Po/w (XLOGP3) : | 2.98 |
Log Po/w (WLOGP) : | 3.1 |
Log Po/w (MLOGP) : | 3.44 |
Log Po/w (SILICOS-IT) : | 3.63 |
Consensus Log Po/w : | 3.08 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.64 |
Solubility : | 0.0584 mg/ml ; 0.000228 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.07 |
Solubility : | 0.219 mg/ml ; 0.000854 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.32 |
Solubility : | 0.0124 mg/ml ; 0.0000484 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 1.62 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | 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.
[ 185315-48-4 ]
(4-Bromo-2-chlorophenyl)methanol
Similarity: 0.97
[ 149965-40-2 ]
(5-Bromo-2-chlorophenyl)methanol
Similarity: 0.92
[ 115615-21-9 ]
(2-Bromo-4,6-dichlorophenyl)methanol
Similarity: 0.90
[ 1602920-29-5 ]
4-Bromo-2-chloro-1-(methoxymethyl)benzene
Similarity: 0.90
[ 1242822-57-6 ]
(2-Bromo-6-chlorophenyl)methanol
Similarity: 0.88
[ 185315-48-4 ]
(4-Bromo-2-chlorophenyl)methanol
Similarity: 0.97
[ 149965-40-2 ]
(5-Bromo-2-chlorophenyl)methanol
Similarity: 0.92
[ 115615-21-9 ]
(2-Bromo-4,6-dichlorophenyl)methanol
Similarity: 0.90
[ 1602920-29-5 ]
4-Bromo-2-chloro-1-(methoxymethyl)benzene
Similarity: 0.90
[ 1242822-57-6 ]
(2-Bromo-6-chlorophenyl)methanol
Similarity: 0.88
[ 185315-48-4 ]
(4-Bromo-2-chlorophenyl)methanol
Similarity: 0.97
[ 149965-40-2 ]
(5-Bromo-2-chlorophenyl)methanol
Similarity: 0.92
[ 115615-21-9 ]
(2-Bromo-4,6-dichlorophenyl)methanol
Similarity: 0.90
[ 1602920-29-5 ]
4-Bromo-2-chloro-1-(methoxymethyl)benzene
Similarity: 0.90
[ 1428234-79-0 ]
(6-Bromo-2-chloro-3-methylphenyl)methanol
Similarity: 0.88
[ 185315-48-4 ]
(4-Bromo-2-chlorophenyl)methanol
Similarity: 0.97
[ 149965-40-2 ]
(5-Bromo-2-chlorophenyl)methanol
Similarity: 0.92
[ 115615-21-9 ]
(2-Bromo-4,6-dichlorophenyl)methanol
Similarity: 0.90
[ 1242822-57-6 ]
(2-Bromo-6-chlorophenyl)methanol
Similarity: 0.88