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. : | 66659-20-9 | MDL No. : | MFCD06658943 |
Formula : | C5H7ClN2O2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ZEWJJZKVQOMYKJ-UHFFFAOYSA-N |
M.W : | 194.64 | Pubchem ID : | 13017673 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 5 |
Fraction Csp3 : | 0.2 |
Num. rotatable bonds : | 2 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 45.03 |
TPSA : | 104.45 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) : | -6.85 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 0.9 |
Log Po/w (WLOGP) : | 1.16 |
Log Po/w (MLOGP) : | -0.43 |
Log Po/w (SILICOS-IT) : | 1.08 |
Consensus Log Po/w : | 0.54 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -1.82 |
Solubility : | 2.96 mg/ml ; 0.0152 mol/l |
Class : | Very soluble |
Log S (Ali) : | -2.68 |
Solubility : | 0.408 mg/ml ; 0.0021 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -0.7 |
Solubility : | 38.7 mg/ml ; 0.199 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.17 |
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: |
[ 521284-21-9 ]
(R)-2-((4-Nitrophenethyl)amino)-1-phenylethanol hydrochloride
[ 64987-16-2 ]
Methyl 2-(2-aminothiazol-4-yl)acetate
Similarity: 0.94
[ 53266-94-7 ]
Ethyl 2-(2-aminothiazol-4-yl)acetate
Similarity: 0.91
[ 75890-68-5 ]
2-(2-Formamidothiazol-4-yl)acetic acid
Similarity: 0.86
[ 259654-73-4 ]
Methyl 2-(2-amino-5-methylthiazol-4-yl)acetate
Similarity: 0.79
[ 66338-96-3 ]
(Z)-2-(2-Aminothiazol-4-yl)-2-(hydroxyimino)acetic acid
Similarity: 0.76
[ 75890-68-5 ]
2-(2-Formamidothiazol-4-yl)acetic acid
Similarity: 0.86
[ 66338-96-3 ]
(Z)-2-(2-Aminothiazol-4-yl)-2-(hydroxyimino)acetic acid
Similarity: 0.76
[ 65872-41-5 ]
(Z)-2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetic acid
Similarity: 0.73
[ 74440-02-1 ]
(Z)-2-(2-Aminothiazol-4-yl)-2-(tert-Butoxycarbonylmethoxyimino)acetic acid
Similarity: 0.63
[ 952182-68-2 ]
2-(Piperidin-1-yl)thiazole-4-carboxylic acid
Similarity: 0.59
[ 64987-16-2 ]
Methyl 2-(2-aminothiazol-4-yl)acetate
Similarity: 0.94
[ 53266-94-7 ]
Ethyl 2-(2-aminothiazol-4-yl)acetate
Similarity: 0.91
[ 75890-68-5 ]
2-(2-Formamidothiazol-4-yl)acetic acid
Similarity: 0.86
[ 259654-73-4 ]
Methyl 2-(2-amino-5-methylthiazol-4-yl)acetate
Similarity: 0.79
[ 66338-96-3 ]
(Z)-2-(2-Aminothiazol-4-yl)-2-(hydroxyimino)acetic acid
Similarity: 0.76