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. : | 20526-97-0 | MDL No. : | MFCD02683417 |
Formula : | C15H9ClO2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 256.68 | Pubchem ID : | - |
Synonyms : |
|
Num. heavy atoms : | 18 |
Num. arom. heavy atoms : | 12 |
Fraction Csp3 : | 0.0 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 2.0 |
Num. H-bond donors : | 0.0 |
Molar Refractivity : | 71.18 |
TPSA : | 26.3 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) : | -4.95 cm/s |
Log Po/w (iLOGP) : | 2.75 |
Log Po/w (XLOGP3) : | 4.1 |
Log Po/w (WLOGP) : | 3.9 |
Log Po/w (MLOGP) : | 3.72 |
Log Po/w (SILICOS-IT) : | 4.4 |
Consensus Log Po/w : | 3.77 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 0.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -4.44 |
Solubility : | 0.00928 mg/ml ; 0.0000362 mol/l |
Class : | Moderately soluble |
Log S (Ali) : | -4.36 |
Solubility : | 0.0113 mg/ml ; 0.0000438 mol/l |
Class : | Moderately soluble |
Log S (SILICOS-IT) : | -5.74 |
Solubility : | 0.000463 mg/ml ; 0.0000018 mol/l |
Class : | Moderately soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 2.74 |
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.
[ 3438-16-2 ]
5-Chloro-2-methoxybenzoic acid
Similarity: 0.86
[ 82477-67-6 ]
3-Chloro-5-methoxybenzoic acid
Similarity: 0.86
[ 57479-70-6 ]
4-Chloro-2-methoxybenzoic acid
Similarity: 0.85
[ 4068-78-4 ]
Methyl 5-chloro-2-hydroxybenzoate
Similarity: 0.84
[ 112270-06-1 ]
Ethyl 2-chloro-6-hydroxybenzoate
Similarity: 0.84
[ 1268246-12-3 ]
Methyl 4-(2-chloro-4-hydroxystyryl)benzoate
Similarity: 0.81
[ 82200-53-1 ]
4-Methoxyphenyl 4-((6-(acryloyloxy)hexyl)oxy)benzoate
Similarity: 0.75
[ 1110767-89-9 ]
(E)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxoprop-1-en-1-yl)benzoic acid
Similarity: 0.74
[ 6552-63-2 ]
1-(4-Chlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Similarity: 0.73
[ 38157-08-3 ]
(E)-Ethyl 3-(4-(benzyloxy)-3-methoxyphenyl)acrylate
Similarity: 0.72
[ 3438-16-2 ]
5-Chloro-2-methoxybenzoic acid
Similarity: 0.86
[ 82477-67-6 ]
3-Chloro-5-methoxybenzoic acid
Similarity: 0.86
[ 57479-70-6 ]
4-Chloro-2-methoxybenzoic acid
Similarity: 0.85
[ 4068-78-4 ]
Methyl 5-chloro-2-hydroxybenzoate
Similarity: 0.84
[ 112270-06-1 ]
Ethyl 2-chloro-6-hydroxybenzoate
Similarity: 0.84
[ 4068-78-4 ]
Methyl 5-chloro-2-hydroxybenzoate
Similarity: 0.84
[ 112270-06-1 ]
Ethyl 2-chloro-6-hydroxybenzoate
Similarity: 0.84
[ 247092-10-0 ]
Methyl 2-chloro-5-hydroxybenzoate
Similarity: 0.83
[ 22717-55-1 ]
Methyl 4-chloro-2-hydroxybenzoate
Similarity: 0.83
[ 166272-81-7 ]
Methyl 4-chloro-3-hydroxybenzoate
Similarity: 0.82
[ 54109-03-4 ]
5-Chloroisobenzofuran-1(3H)-one
Similarity: 0.81
[ 10242-10-1 ]
5-Chlorobenzofuran-2-carboxylic acid
Similarity: 0.79
[ 57830-14-5 ]
5-Phenoxyisobenzofuran-1(3H)-one
Similarity: 0.78
[ 4741-62-2 ]
5-Methoxyisobenzofuran-1(3H)-one
Similarity: 0.77
[ 83751-12-6 ]
Ethyl 2,3-dihydrobenzofuran-5-carboxylate
Similarity: 0.77