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. : | 578-76-7 | MDL No. : | MFCD00038003 |
Formula : | C6H7N5O | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | FZWGECJQACGGTI-UHFFFAOYSA-N |
M.W : | 165.15 | Pubchem ID : | 135398679 |
Synonyms : |
Epiguanine;NSC 19647;NSC 193444;N7-Methylguanine;2-Amino-7-methylhypoxanthine
|
Num. heavy atoms : | 12 |
Num. arom. heavy atoms : | 9 |
Fraction Csp3 : | 0.17 |
Num. rotatable bonds : | 0 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 43.82 |
TPSA : | 89.59 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) : | -8.1 cm/s |
Log Po/w (iLOGP) : | 0.23 |
Log Po/w (XLOGP3) : | -1.12 |
Log Po/w (WLOGP) : | -0.75 |
Log Po/w (MLOGP) : | -0.53 |
Log Po/w (SILICOS-IT) : | -0.1 |
Consensus Log Po/w : | -0.46 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.71 |
Solubility : | 32.0 mg/ml ; 0.193 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.27 |
Solubility : | 88.6 mg/ml ; 0.537 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -1.27 |
Solubility : | 8.91 mg/ml ; 0.054 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.82 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | 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.
[ 786693-71-8 ]
2-Amino-7-methyl-1H-purin-6(7H)-one hydrochloride
Similarity: 0.99
[ 635-39-2 ]
2-Amino-1H-purin-6(7H)-one hydrochloride
Similarity: 0.93
[ 1004-75-7 ]
2,5,6-Triaminopyrimidin-4(3H)-one
Similarity: 0.84
[ 21047-89-2 ]
N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide
Similarity: 0.83
[ 35011-47-3 ]
2,5,6-Triaminopyrimidin-4(3H)-one sulfate
Similarity: 0.75
[ 786693-71-8 ]
2-Amino-7-methyl-1H-purin-6(7H)-one hydrochloride
Similarity: 0.99
[ 635-39-2 ]
2-Amino-1H-purin-6(7H)-one hydrochloride
Similarity: 0.93
[ 1004-75-7 ]
2,5,6-Triaminopyrimidin-4(3H)-one
Similarity: 0.84
[ 21047-89-2 ]
N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide
Similarity: 0.83
[ 35011-47-3 ]
2,5,6-Triaminopyrimidin-4(3H)-one sulfate
Similarity: 0.75
[ 786693-71-8 ]
2-Amino-7-methyl-1H-purin-6(7H)-one hydrochloride
Similarity: 0.99
[ 635-39-2 ]
2-Amino-1H-purin-6(7H)-one hydrochloride
Similarity: 0.93
[ 21047-89-2 ]
N-(6-Oxo-6,7-dihydro-1H-purin-2-yl)isobutyramide
Similarity: 0.83
[ 6136-37-4 ]
1-Methyl-1H-purine-2,6(3H,7H)-dione
Similarity: 0.75
[ 261506-45-0 ]
Sodium 2-((2-amino-6-oxo-1H-purin-9(6H)-yl)methoxy)ethanolate dihydrate
Similarity: 0.70