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. : | 220526-76-1 | MDL No. : | MFCD09998947 |
Formula : | C16H11ClO3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AACRMSQFZNENME-UHFFFAOYSA-N |
M.W : | 286.71 | Pubchem ID : | 10565173 |
Synonyms : |
|
Num. heavy atoms : | 20 |
Num. arom. heavy atoms : | 15 |
Fraction Csp3 : | 0.06 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 3.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 77.59 |
TPSA : | 39.44 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 : | No |
Log Kp (skin permeation) : | -4.78 cm/s |
Log Po/w (iLOGP) : | 3.17 |
Log Po/w (XLOGP3) : | 4.6 |
Log Po/w (WLOGP) : | 4.33 |
Log Po/w (MLOGP) : | 2.46 |
Log Po/w (SILICOS-IT) : | 4.48 |
Consensus Log Po/w : | 3.81 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.87 |
Solubility : | 0.00384 mg/ml ; 0.0000134 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -5.15 |
Solubility : | 0.00202 mg/ml ; 0.00000703 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -6.49 |
Solubility : | 0.0000926 mg/ml ; 0.000000323 mol/l |
Class : | Poorly soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.53 |
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: |
[ 120973-72-0 ]
2-Benzoylbenzofuran-5-carbaldehyde
Similarity: 0.83
[ 34035-03-5 ]
5-(4-Chlorophenyl)furan-2-carbaldehyde
Similarity: 0.82
[ 6552-63-2 ]
1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Similarity: 0.79
[ 99585-09-8 ]
1-(3-Chloro-2-methoxyphenyl)ethanone
Similarity: 0.76
[ 1477-19-6 ]
(2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone
Similarity: 0.75
[ 1378388-20-5 ]
3-Chloro-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one
Similarity: 0.86
[ 34035-03-5 ]
5-(4-Chlorophenyl)furan-2-carbaldehyde
Similarity: 0.82
[ 6552-63-2 ]
1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Similarity: 0.79
[ 99585-09-8 ]
1-(3-Chloro-2-methoxyphenyl)ethanone
Similarity: 0.76
[ 7035-09-8 ]
5-Chloro-2-methoxybenzaldehyde
Similarity: 0.75
[ 25563-04-6 ]
2-(2-(4-Chlorophenoxy)phenyl)acetic acid
Similarity: 0.74
[ 1378388-20-5 ]
3-Chloro-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one
Similarity: 0.86
[ 120973-72-0 ]
2-Benzoylbenzofuran-5-carbaldehyde
Similarity: 0.83
[ 120973-72-0 ]
2-Benzoylbenzofuran-5-carbaldehyde
Similarity: 0.83
[ 10242-10-1 ]
5-Chlorobenzofuran-2-carboxylic acid
Similarity: 0.79
[ 1477-19-6 ]
(2-Ethylbenzofuran-3-yl)(4-hydroxyphenyl)methanone
Similarity: 0.75
[ 20526-97-0 ]
3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one
Similarity: 0.75