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. : | 1334298-29-1 | MDL No. : | |
Formula : | C4H5N3O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | CBYTYJCJFHUVCR-UHFFFAOYSA-N |
M.W : | 127.10 | Pubchem ID : | 67128181 |
Synonyms : |
|
Num. heavy atoms : | 9 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 29.0 |
TPSA : | 95.14 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) : | -7.64 cm/s |
Log Po/w (iLOGP) : | 0.56 |
Log Po/w (XLOGP3) : | -0.8 |
Log Po/w (WLOGP) : | -0.64 |
Log Po/w (MLOGP) : | -1.77 |
Log Po/w (SILICOS-IT) : | -0.62 |
Consensus Log Po/w : | -0.65 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -0.47 |
Solubility : | 43.2 mg/ml ; 0.34 mol/l |
Class : | Very soluble |
Log S (Ali) : | -0.72 |
Solubility : | 24.3 mg/ml ; 0.191 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -0.43 |
Solubility : | 47.3 mg/ml ; 0.372 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.11 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
[ 370103-23-4 ]
2,5-Dimethoxypyrimidin-4(3H)-one
Similarity: 0.72
[ 1616526-82-9 ]
5-Hydroxypyrimidin-4(3H)-one hydrochloride
Similarity: 0.55
[ 934236-40-5 ]
Methyl 2-aminooxazole-5-carboxylate
Similarity: 0.76
[ 113853-16-0 ]
Ethyl 2-aminooxazole-5-carboxylate
Similarity: 0.74
[ 1375068-54-4 ]
Oxazol-5-ylmethanamine dihydrochloride
Similarity: 0.66
[ 1196156-45-2 ]
Oxazol-5-ylmethanamine hydrochloride
Similarity: 0.66
[ 79221-15-1 ]
Ethyl 2-amino-4-methyloxazole-5-carboxylate
Similarity: 0.64
[ 934236-40-5 ]
Methyl 2-aminooxazole-5-carboxylate
Similarity: 0.76
[ 113853-16-0 ]
Ethyl 2-aminooxazole-5-carboxylate
Similarity: 0.74
[ 1375068-54-4 ]
Oxazol-5-ylmethanamine dihydrochloride
Similarity: 0.66
[ 1196156-45-2 ]
Oxazol-5-ylmethanamine hydrochloride
Similarity: 0.66
[ 79221-15-1 ]
Ethyl 2-amino-4-methyloxazole-5-carboxylate
Similarity: 0.64