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. : | 860437-59-8 | MDL No. : | MFCD29067784 |
Formula : | C9H12BrNO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | DJRVVUYFODXFSR-UHFFFAOYSA-N |
M.W : | 230.10 | Pubchem ID : | 86061728 |
Synonyms : |
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.33 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 57.85 |
TPSA : | 32.26 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | Yes |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.33 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 1.94 |
Log Po/w (WLOGP) : | 1.46 |
Log Po/w (MLOGP) : | 1.59 |
Log Po/w (SILICOS-IT) : | 1.97 |
Consensus Log Po/w : | 1.39 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -2.86 |
Solubility : | 0.318 mg/ml ; 0.00138 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.24 |
Solubility : | 1.32 mg/ml ; 0.00573 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.68 |
Solubility : | 0.476 mg/ml ; 0.00207 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.51 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-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.
[ 102877-50-9 ]
1,2,3,4-Tetrahydroisoquinolin-5-ol
Similarity: 0.98
[ 110192-20-6 ]
1,2,3,4-Tetrahydroisoquinolin-8-ol hydrobromide
Similarity: 0.98
[ 14097-42-8 ]
2-Methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
Similarity: 0.96
[ 102879-34-5 ]
1,2,3,4-Tetrahydroisoquinolin-5-ol hydrochloride
Similarity: 0.96
[ 32999-37-4 ]
1,2,3,4-Tetrahydroisoquinolin-8-ol
Similarity: 0.96
[ 102877-50-9 ]
1,2,3,4-Tetrahydroisoquinolin-5-ol
Similarity: 0.98
[ 110192-20-6 ]
1,2,3,4-Tetrahydroisoquinolin-8-ol hydrobromide
Similarity: 0.98
[ 14097-42-8 ]
2-Methyl-1,2,3,4-tetrahydroisoquinolin-5-ol
Similarity: 0.96
[ 102879-34-5 ]
1,2,3,4-Tetrahydroisoquinolin-5-ol hydrochloride
Similarity: 0.96
[ 32999-37-4 ]
1,2,3,4-Tetrahydroisoquinolin-8-ol
Similarity: 0.96