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. : | 50508-89-9 | MDL No. : | MFCD18969310 |
Formula : | C15H13Cl2NO2S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | RWDKLJQZPVCCTO-UHFFFAOYSA-N |
M.W : | 342.24 | Pubchem ID : | 12562369 |
Synonyms : |
|
Num. heavy atoms : | 21 |
Num. arom. heavy atoms : | 11 |
Fraction Csp3 : | 0.2 |
Num. rotatable bonds : | 6 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 88.09 |
TPSA : | 74.41 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | Yes |
CYP2C19 inhibitor : | Yes |
CYP2C9 inhibitor : | Yes |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | Yes |
Log Kp (skin permeation) : | -4.77 cm/s |
Log Po/w (iLOGP) : | 2.72 |
Log Po/w (XLOGP3) : | 5.09 |
Log Po/w (WLOGP) : | 4.18 |
Log Po/w (MLOGP) : | 2.71 |
Log Po/w (SILICOS-IT) : | 5.66 |
Consensus Log Po/w : | 4.07 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -5.16 |
Solubility : | 0.00237 mg/ml ; 0.00000691 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -6.4 |
Solubility : | 0.000138 mg/ml ; 0.000000402 mol/l |
Class : | Poorly soluble |
Log S (SILICOS-IT) : | -6.53 |
Solubility : | 0.000102 mg/ml ; 0.000000297 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.93 |
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.
[ 50509-09-6 ]
2-Amino-N-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)acetamide
Similarity: 0.93
[ 42753-80-0 ]
N-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide
Similarity: 0.81
[ 50508-60-6 ]
(2-Amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone
Similarity: 0.76
[ 180854-85-7 ]
2-Chloro-N-(2-(2-chlorobenzoyl)-4-nitrophenyl)acetamide
Similarity: 0.54
[ 62128-38-5 ]
(4-Chlorophenyl)(1H-pyrrol-3-yl)methanone
Similarity: 0.53
[ 50509-09-6 ]
2-Amino-N-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)acetamide
Similarity: 0.93
[ 42753-80-0 ]
N-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide
Similarity: 0.81
[ 50508-60-6 ]
(2-Amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone
Similarity: 0.76
[ 3159-04-4 ]
2-Chlorodibenzo[b,f][1,4]thiazepin-11(10H)-one
Similarity: 0.57
[ 18711-13-2 ]
4,7-Dichloroindoline-2,3-dione
Similarity: 0.54
[ 50509-09-6 ]
2-Amino-N-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)acetamide
Similarity: 0.93
[ 42753-80-0 ]
N-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide
Similarity: 0.81
[ 61627-58-5 ]
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propionamide
Similarity: 0.66
[ 371206-03-0 ]
2-(4-Oxo-4,5,6,7-tetrahydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3-yl)acetic acid
Similarity: 0.57
[ 4815-28-5 ]
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Similarity: 0.57
[ 50509-09-6 ]
2-Amino-N-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)acetamide
Similarity: 0.93
[ 42753-80-0 ]
N-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide
Similarity: 0.81
[ 50508-60-6 ]
(2-Amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone
Similarity: 0.76
[ 18711-13-2 ]
4,7-Dichloroindoline-2,3-dione
Similarity: 0.54
[ 180854-85-7 ]
2-Chloro-N-(2-(2-chlorobenzoyl)-4-nitrophenyl)acetamide
Similarity: 0.54
[ 50509-09-6 ]
2-Amino-N-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)acetamide
Similarity: 0.93
[ 42753-80-0 ]
N-(3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide
Similarity: 0.81
[ 50508-60-6 ]
(2-Amino-5-ethylthiophen-3-yl)(2-chlorophenyl)methanone
Similarity: 0.76
[ 61627-58-5 ]
N-(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)propionamide
Similarity: 0.66
[ 4815-28-5 ]
2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Similarity: 0.57