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. : | 933746-10-2 | MDL No. : | MFCD13193603 |
Formula : | C6H5ClN2O2 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | JZXOFYWUUZOAAN-UHFFFAOYSA-N |
M.W : | 172.57 | Pubchem ID : | 70701167 |
Synonyms : |
|
Num. heavy atoms : | 11 |
Num. arom. heavy atoms : | 6 |
Fraction Csp3 : | 0.17 |
Num. rotatable bonds : | 1 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 38.97 |
TPSA : | 63.08 Ų |
GI absorption : | High |
BBB permeant : | Yes |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -6.37 cm/s |
Log Po/w (iLOGP) : | 0.68 |
Log Po/w (XLOGP3) : | 1.39 |
Log Po/w (WLOGP) : | 1.14 |
Log Po/w (MLOGP) : | 0.15 |
Log Po/w (SILICOS-IT) : | 1.36 |
Consensus Log Po/w : | 0.94 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -2.12 |
Solubility : | 1.3 mg/ml ; 0.00753 mol/l |
Class : | Soluble |
Log S (Ali) : | -2.32 |
Solubility : | 0.829 mg/ml ; 0.00481 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -2.02 |
Solubility : | 1.63 mg/ml ; 0.00944 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.75 |
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: |
[ 108381-23-3 ]
Ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
Similarity: 0.70
[ 502184-51-2 ]
Methyl 5-amino-2,6-dichloropyrimidine-4-carboxylate
Similarity: 0.68
[ 374068-01-6 ]
2-Chloropyrimidine-5-carboxylic acid
Similarity: 0.68
[ 1312535-78-6 ]
1-(2-Chloropyrimidin-4-yl)ethanone
Similarity: 0.68
[ 54368-62-6 ]
Ethyl 5-amino-2,6-dichloropyrimidine-4-carboxylate
Similarity: 0.67
[ 374068-01-6 ]
2-Chloropyrimidine-5-carboxylic acid
Similarity: 0.68
[ 157335-92-7 ]
4-Methylpyrimidine-5-carboxylic acid
Similarity: 0.68
[ 2010958-16-2 ]
5-Methylpyrimidine-4,6-dicarboxylic acid
Similarity: 0.68
[ 38214-45-8 ]
6-Methoxypyrimidine-4-carboxylic acid
Similarity: 0.67
[ 937271-47-1 ]
3-(2-Chloropyrimidin-4-yl)benzoic acid
Similarity: 0.66
[ 108381-23-3 ]
Ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
Similarity: 0.70
[ 502184-51-2 ]
Methyl 5-amino-2,6-dichloropyrimidine-4-carboxylate
Similarity: 0.68
[ 374068-01-6 ]
2-Chloropyrimidine-5-carboxylic acid
Similarity: 0.68
[ 157335-92-7 ]
4-Methylpyrimidine-5-carboxylic acid
Similarity: 0.68
[ 1312535-78-6 ]
1-(2-Chloropyrimidin-4-yl)ethanone
Similarity: 0.68