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. : | 365996-87-8 | MDL No. : | MFCD09839781 |
Formula : | C12H17N3O4S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | OWHKZXFLURWFDL-UHFFFAOYSA-N |
M.W : | 299.35 | Pubchem ID : | 18442821 |
Synonyms : |
|
Num. heavy atoms : | 20 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.58 |
Num. rotatable bonds : | 4 |
Num. H-bond acceptors : | 6.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 75.5 |
TPSA : | 97.84 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) : | -8.08 cm/s |
Log Po/w (iLOGP) : | 2.3 |
Log Po/w (XLOGP3) : | 0.07 |
Log Po/w (WLOGP) : | 1.53 |
Log Po/w (MLOGP) : | 0.02 |
Log Po/w (SILICOS-IT) : | 0.47 |
Consensus Log Po/w : | 0.88 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.7 |
Solubility : | 6.0 mg/ml ; 0.02 mol/l |
Class : | Very soluble |
Log S (Ali) : | -1.68 |
Solubility : | 6.28 mg/ml ; 0.021 mol/l |
Class : | Very soluble |
Log S (SILICOS-IT) : | -2.74 |
Solubility : | 0.542 mg/ml ; 0.00181 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.57 |
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: |
* 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.
[ 259809-79-5 ]
tert-Butyl 7,8-dihydro-2-(methylsulfonyl)pyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Similarity: 0.82
[ 1799434-48-2 ]
tert-Butyl ((2-(methylsulfonyl)pyrimidin-4-yl)methyl)carbamate
Similarity: 0.73
[ 192869-49-1 ]
tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Similarity: 0.64
[ 1053657-15-0 ]
tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
Similarity: 0.62
[ 1092352-55-0 ]
tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Similarity: 0.60
[ 259809-79-5 ]
tert-Butyl 7,8-dihydro-2-(methylsulfonyl)pyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Similarity: 0.82
[ 1799434-48-2 ]
tert-Butyl ((2-(methylsulfonyl)pyrimidin-4-yl)methyl)carbamate
Similarity: 0.73
[ 148550-51-0 ]
Ethyl 2-(methylsulfonyl)pyrimidine-5-carboxylate
Similarity: 0.59
[ 35144-22-0 ]
4,6-Dimethyl-2-methylsulfonylpyrimidine
Similarity: 0.58
[ 113583-35-0 ]
2-Methanesulfonyl-4,6-dimethoxypyrimidine
Similarity: 0.56
[ 259809-79-5 ]
tert-Butyl 7,8-dihydro-2-(methylsulfonyl)pyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Similarity: 0.82
[ 192869-49-1 ]
tert-Butyl 7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Similarity: 0.64
[ 1053657-15-0 ]
tert-Butyl 4-chloro-5H-pyrrolo[3,4-d]pyrimidine-6(7H)-carboxylate
Similarity: 0.62
[ 1092352-55-0 ]
tert-Butyl 2-chloro-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate
Similarity: 0.60
[ 1053656-57-7 ]
tert-Butyl 4-chloro-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
Similarity: 0.58