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. : | 287177-82-6 | MDL No. : | MFCD11559009 |
Formula : | C5H5N5 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | SMXRCJBCWRHDJE-UHFFFAOYSA-N |
M.W : | 135.13 | Pubchem ID : | 19692156 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 36.09 |
TPSA : | 80.48 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.25 cm/s |
Log Po/w (iLOGP) : | 0.63 |
Log Po/w (XLOGP3) : | -0.18 |
Log Po/w (WLOGP) : | -0.06 |
Log Po/w (MLOGP) : | -0.42 |
Log Po/w (SILICOS-IT) : | 0.47 |
Consensus Log Po/w : | 0.09 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.23 |
Solubility : | 7.95 mg/ml ; 0.0588 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.05 |
Solubility : | 11.9 mg/ml ; 0.0882 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.77 |
Solubility : | 2.27 mg/ml ; 0.0168 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.57 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H332-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 2380-63-4 ]
1H-Pyrazolo[3,4-d]pyrimidin-4-amine
Similarity: 0.89
[ 100644-65-3 ]
4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine
Similarity: 0.84
[ 5417-78-7 ]
6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Similarity: 0.76
[ 100644-66-4 ]
4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
Similarity: 0.75
[ 151266-23-8 ]
3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Similarity: 0.75
[ 2380-63-4 ]
1H-Pyrazolo[3,4-d]pyrimidin-4-amine
Similarity: 0.89
[ 100644-65-3 ]
4-Chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine
Similarity: 0.84
[ 23002-51-9 ]
6-Chloro-1H-pyrazolo[3,4-d]pyrimidine
Similarity: 0.76
[ 5417-78-7 ]
6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Similarity: 0.76
[ 100644-66-4 ]
4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-amine
Similarity: 0.75