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) ]} | {[ 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. : | 944559-46-0 | MDL No. : | MFCD27635175 |
Formula : | C12H15NO3S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ZCMCSYZGDZAHMF-AATRIKPKSA-N |
M.W : | 253.32 g/mol | Pubchem ID : | 70332843 |
Synonyms : |
|
Num. heavy atoms : | 17 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.42 |
Num. rotatable bonds : | 6 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 67.15 |
TPSA : | 84.5 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -5.64 cm/s |
Log Po/w (iLOGP) : | 2.8 |
Log Po/w (XLOGP3) : | 3.11 |
Log Po/w (WLOGP) : | 2.71 |
Log Po/w (MLOGP) : | 0.88 |
Log Po/w (SILICOS-IT) : | 3.7 |
Consensus Log Po/w : | 2.64 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -3.19 |
Solubility : | 0.163 mg/ml ; 0.000643 mol/l |
Class : | Soluble |
Log S (Ali) : | -4.55 |
Solubility : | 0.00709 mg/ml ; 0.000028 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -2.64 |
Solubility : | 0.578 mg/ml ; 0.00228 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 3.42 |
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: |
![]() |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
2.5 g | at 60 - 70℃; for 45 h; | 5.0 g of compound VI (R = Et, 0.01 mol) was dissolved in 25 ml of chloroform, Join 3.92g isobutyraldehyde, stirring temperature 60 ~ 70 ° C reaction 45h. After vacuum desolventizing with n-heptane 2.5g white solid was purified with a purity of 99.0percent. |
[ 160060-21-9 ]
Ethyl 2-acetylthiazole-4-carboxylate
Similarity: 0.91
[ 76275-87-1 ]
Methyl 2-acetylthiazole-4-carboxylate
Similarity: 0.89
[ 59937-01-8 ]
Ethyl 2-phenylthiazole-4-carboxylate
Similarity: 0.82
[ 73956-17-9 ]
Ethyl 2-formylthiazole-4-carboxylate
Similarity: 0.81
[ 921927-88-0 ]
Methyl 2-formylthiazole-4-carboxylate
Similarity: 0.79
[ 160060-21-9 ]
Ethyl 2-acetylthiazole-4-carboxylate
Similarity: 0.91
[ 76275-87-1 ]
Methyl 2-acetylthiazole-4-carboxylate
Similarity: 0.89
[ 38205-60-6 ]
1-(2,4-Dimethylthiazol-5-yl)ethanone
Similarity: 0.58
[ 4464-60-2 ]
Bis(benzo[d]thiazol-2-yl)methanone
Similarity: 0.58
[ 160060-21-9 ]
Ethyl 2-acetylthiazole-4-carboxylate
Similarity: 0.91
[ 76275-87-1 ]
Methyl 2-acetylthiazole-4-carboxylate
Similarity: 0.89
[ 59937-01-8 ]
Ethyl 2-phenylthiazole-4-carboxylate
Similarity: 0.82
[ 73956-17-9 ]
Ethyl 2-formylthiazole-4-carboxylate
Similarity: 0.81
[ 921927-88-0 ]
Methyl 2-formylthiazole-4-carboxylate
Similarity: 0.79