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. : | 214915-72-7 | MDL No. : | MFCD11617180 |
Formula : | C10H10BrNO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ANIPJGAEJCDVFF-UHFFFAOYSA-N |
M.W : | 240.10 | Pubchem ID : | 18942297 |
Synonyms : |
|
Num. heavy atoms : | 13 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.2 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 56.93 |
TPSA : | 36.02 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) : | -5.83 cm/s |
Log Po/w (iLOGP) : | 1.96 |
Log Po/w (XLOGP3) : | 2.72 |
Log Po/w (WLOGP) : | 2.47 |
Log Po/w (MLOGP) : | 1.96 |
Log Po/w (SILICOS-IT) : | 3.35 |
Consensus Log Po/w : | 2.49 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.42 |
Solubility : | 0.0908 mg/ml ; 0.000378 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.13 |
Solubility : | 0.178 mg/ml ; 0.000741 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.38 |
Solubility : | 0.0101 mg/ml ; 0.000042 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.65 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280 | UN#: | N/A |
Hazard Statements: | H302-H317 | 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.
[ 32774-29-1 ]
2-(5-Bromo-1H-indol-3-yl)ethanol
Similarity: 0.86
[ 40432-84-6 ]
2-(5-Bromo-1H-indol-3-yl)acetic acid
Similarity: 0.85
[ 4583-55-5 ]
5-Bromo-2,3-dimethyl-1H-indole
Similarity: 0.85
[ 32774-29-1 ]
2-(5-Bromo-1H-indol-3-yl)ethanol
Similarity: 0.86
[ 202753-56-8 ]
2-(4-Bromo-1H-indol-3-yl)ethanol
Similarity: 0.84
[ 923197-75-5 ]
(6-Bromo-1H-indol-2-yl)methanol
Similarity: 0.81
[ 148366-28-3 ]
2-(5-Bromo-1H-indol-1-yl)ethanol
Similarity: 0.80
[ 301353-96-8 ]
1-(3,6-Dibromo-9H-carbazol-9-yl)-3-(phenylamino)propan-2-ol
Similarity: 0.77
[ 32774-29-1 ]
2-(5-Bromo-1H-indol-3-yl)ethanol
Similarity: 0.86
[ 40432-84-6 ]
2-(5-Bromo-1H-indol-3-yl)acetic acid
Similarity: 0.85
[ 4583-55-5 ]
5-Bromo-2,3-dimethyl-1H-indole
Similarity: 0.85