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. : | 888968-67-0 | MDL No. : | MFCD17215826 |
Formula : | C10H7BrN2O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | YBUXCGXGEJLZBJ-UHFFFAOYSA-N |
M.W : | 251.08 | Pubchem ID : | 57438375 |
Synonyms : |
|
Num. heavy atoms : | 14 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 57.19 |
TPSA : | 46.01 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) : | -6.04 cm/s |
Log Po/w (iLOGP) : | 2.03 |
Log Po/w (XLOGP3) : | 2.53 |
Log Po/w (WLOGP) : | 2.61 |
Log Po/w (MLOGP) : | 1.81 |
Log Po/w (SILICOS-IT) : | 2.65 |
Consensus Log Po/w : | 2.33 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.56 |
Solubility : | 0.0693 mg/ml ; 0.000276 mol/l |
Class : | Soluble |
Log S (Ali) : | -3.14 |
Solubility : | 0.181 mg/ml ; 0.00072 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -4.45 |
Solubility : | 0.00887 mg/ml ; 0.0000353 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 1.97 |
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.
[ 392307-25-4 ]
4-(3-Bromophenyl)pyrimidin-2-amine
Similarity: 0.82
[ 392326-81-7 ]
4-(4-Bromophenyl)pyrimidin-2-amine
Similarity: 0.81
[ 674810-96-9 ]
4-(4-Methoxyphenyl)pyrimidin-2-ol
Similarity: 0.74
[ 392307-25-4 ]
4-(3-Bromophenyl)pyrimidin-2-amine
Similarity: 0.82
[ 392326-81-7 ]
4-(4-Bromophenyl)pyrimidin-2-amine
Similarity: 0.81
[ 114703-12-7 ]
7-Bromoquinazoline-2,4(1H,3H)-dione
Similarity: 0.79
[ 114703-12-7 ]
7-Bromoquinazoline-2,4(1H,3H)-dione
Similarity: 0.79
[ 674810-96-9 ]
4-(4-Methoxyphenyl)pyrimidin-2-ol
Similarity: 0.74
[ 1166378-30-8 ]
6-Bromo-7-chloroquinazoline-2,4-diol
Similarity: 0.70
[ 1823954-54-6 ]
5-Bromo-2-methylquinazolin-4-ol
Similarity: 0.68
[ 392307-25-4 ]
4-(3-Bromophenyl)pyrimidin-2-amine
Similarity: 0.82
[ 392326-81-7 ]
4-(4-Bromophenyl)pyrimidin-2-amine
Similarity: 0.81
[ 674810-96-9 ]
4-(4-Methoxyphenyl)pyrimidin-2-ol
Similarity: 0.74